{"artifacts":{"doi:10.1016/j.jallcom.2024.174011/p5/tab-4":{"artifact":"table","caption":"Enthalpy of formation values for sigma phases from the present work’s DFT- based calculations at 0 K.","label":"4","page":5}},"cite_as":{"also_cite":["the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work)"],"bibtex":"@misc{orchid_literature_2026,\n  author    = {Arr{\\'o}yave, Raymundo and Saal, James and Shin, Dongwon},\n  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},\n  version   = {2026.10},\n  publisher = {Zenodo},\n  year      = {2026},\n  doi       = {10.5281/zenodo.23735569},\n  url       = {https://doi.org/10.5281/zenodo.23735569},\n  note      = {Version 1, machine-extracted}\n}","dataset":"literature","doi":"10.5281/zenodo.23735569","license":"CC-BY-4.0","part_of":{"bibtex":"@misc{orchid_data_2026,\n  author    = {Arr{\\'o}yave, Raymundo and Saal, James and Shin, Dongwon},\n  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},\n  version   = {2026.10},\n  publisher = {Zenodo},\n  year      = {2026},\n  doi       = {10.5281/zenodo.23736065},\n  url       = {https://doi.org/10.5281/zenodo.23736065},\n  note      = {Version 1, machine-extracted}\n}","doi":"10.5281/zenodo.23736065","text":"R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23736065","title":"ORCHID data: umbrella record of the ORCHID datasets","url":"https://doi.org/10.5281/zenodo.23736065"},"release_tag":"v2026.10","status":"Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.","text":"R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735569","title":"ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature","url":"https://doi.org/10.5281/zenodo.23735569","version":"2026.10"},"contexts":{},"elements":["CR","NI","V"],"licence":"CC BY 4.0 (ORCHID data; quotes are short excerpts kept for verification, the publishers' copyright, not relicensed)","models":{},"note":"records[].locator.ref -> artifacts; records[].model -> models (full records: orchid-literature.jsonl.gz)","papers":{"doi:10.1016/j.jallcom.2024.174011":{"authors":["Beril Tonyali","Hui Sun","Brandon Bocklund","John Paul Borgonia","Richard A. Otis","Shun-Li Shang","Zi-Kui Liu","Allison M. Beese"],"citation":"Beril Tonyali, Hui Sun, Brandon Bocklund, John Paul Borgonia, Richard A. Otis, Shun-Li Shang et al., Additively manufactured Ni-20Cr to V functionally graded material: Computational predictions and experimental verification of phase formations, Journal of Alloys and Compounds 985, 174011 (2024).","container":"Journal of Alloys and Compounds","doi":"10.1016/j.jallcom.2024.174011","doi_url":"https://doi.org/10.1016/j.jallcom.2024.174011","id":"doi:10.1016/j.jallcom.2024.174011","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"ba8a69e2f735607c","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Additively manufactured Ni-20Cr to V functionally graded material: Computational predictions and experimental verification of phase formations","year":2024}},"part":1,"parts":1,"records":[{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-HWWRNVS3YE","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":1},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"overall_composition":{"NI":0.0,"V":0.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r01#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.6835},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":13.67,"value_printed":13.67,"value_stored":13670.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-UYUSLQRDQX","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":2},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r02#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.32185},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":6.437,"value_printed":6.437,"value_stored":6437.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-ITCTTJ6FHC","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":3},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r03#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.25425},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":5.085,"value_printed":5.085,"value_stored":5085.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-MDB5MNUBUL","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":4},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r04#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.9724},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":19.448,"value_printed":19.448,"value_stored":19448.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-53VL4ZXHDA","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":5},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r05#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.5258},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":10.516,"value_printed":10.516,"value_stored":10516.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-RNEXRU3FAA","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":6},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r06#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.4697},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":9.394,"value_printed":9.394,"value_stored":9394.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-5QGTRQK6FG","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":7},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r07#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.3938},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":7.876,"value_printed":7.876,"value_stored":7876.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-INYPUZDKVX","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":8},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r08#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.22515},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":4.503,"value_printed":4.503,"value_stored":4503.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-OMZXPAVPRT","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":9},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r09#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.0445},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":0.89,"value_printed":0.89,"value_stored":890.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-WXUAGSUNJJ","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":10},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r10#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.2036},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":4.072,"value_printed":4.072,"value_stored":4072.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-VGJKOQQ5O3","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":11},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r11#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.50875},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":10.175,"value_printed":10.175,"value_stored":10175.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-5GJB7VMSP3","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":12},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r12#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.49055},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":-9.811,"value_printed":-9.811,"value_stored":-9811.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-HAGYDSSLET","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":13},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r13#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.5956},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":11.912,"value_printed":11.912,"value_stored":11912.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-34NQIQOAAN","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":15},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r15#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.5291},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":-10.582,"value_printed":-10.582,"value_stored":-10582.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-ZRDMM3QZLA","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":16},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r16#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.01735},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":-0.347,"value_printed":-0.347,"value_stored":-347.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-HA44ONS6UD","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":17},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r17#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.1582},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":-3.164,"value_printed":-3.164,"value_stored":-3164.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-TM2MLDJOI5","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":18},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r18#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.81085},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":-16.217,"value_printed":-16.217,"value_stored":-16217.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-H5HFFEJGVY","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":19},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r19#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.69315},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":13.863,"value_printed":13.863,"value_stored":13863.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-PO7MQ4HJ3G","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":20},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r20#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.08175},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":-1.635,"value_printed":-1.635,"value_stored":-1635.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-TGF5OQ67ZW","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":21},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r21#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.33875},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":6.775,"value_printed":6.775,"value_stored":6775.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-GPZVARZ3QV","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":22},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r22#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.99085},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":19.817,"value_printed":19.817,"value_stored":19817.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-GYYKYS5KIK","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":23},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r23#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.25735},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":-5.147,"value_printed":-5.147,"value_stored":-5147.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-5E7CT6M66B","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":24},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r24#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.427},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":8.54,"value_printed":8.54,"value_stored":8540.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-LSPBUNGXY4","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":25},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r25#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.46495},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":9.299,"value_printed":9.299,"value_stored":9299.0},{"chemical_system":"CR-NI-V","conditions":{"kind":"not_applicable_own_calculation"},"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:composition"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":2,"id":"ORC-JDNG3BJEQQ","locator":{"ref":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4","row":26},"method":"DFT","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2024.174011","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2024.174011","paper_id":"doi:10.1016/j.jallcom.2024.174011","phases":[{"label":"sigma","model_phase":"SIGMA"}],"pid":"doi:10.1016/j.jallcom.2024.174011/p5/tab-4/r26#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CR":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"NI":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"},"V":{"phase":"printed:pure elements bcc Cr, fcc Ni and bcc V (ferromagnetic spin-polarization for Cr and Ni)"}},"source_system":"CR-NI-V","system":"CR-NI-V","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.37345},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.929,"sigma_method":{"basis":"calibrated","ci95":[2.742,4.87],"class":"dft","entry":"dft/literature/strata/magnetic_3d","floor":3.929,"floor_unit":"kJ/mol-atom","n_pairs":105,"stratum":"literature/magnetic_3d","value":3.929},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"kJ/mol-atom","unit_stored":"J/mol-atom","value":-7.469,"value_printed":-7.469,"value_stored":-7469.0}],"release":"orchid-literature 2026-10-23 (record store db-v2.1: invariant/general v2.1.19r, text+context fixup-20261022)","system":"CR-NI-V"}