Nd–Ru system

70 accepted literature values from 1 paper(s) (model 31, DFT 4, unspecified 35); 0 calculated phase diagram(s). 5 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
model	31
DFT	4
unspecified	35

Accepted values by property group
Property group	Values
formation	35
crystal structure	35

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, Nd–Ru system (17)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Nd3Ru	Nd3Ru	-25.095 kJ/mol-atom		model	-18.787 (mp-aaackyoa)	-18.159 (oqmd-1437319)	[1] Kardellass 2023 cites Debski 2014 doi	Table 2, p. 7, row 5 report
Nd3Ru	Nd3Ru	-21.846 kJ/mol-atom		model	-18.787 (mp-aaackyoa)	-18.159 (oqmd-1437319)	[1] Kardellass 2023 cites Zhang 2007 doi	Table 2, p. 7, row 9 report
Nd3Ru		-21.451 kJ/mol-atom	0	DFT			[1] Kardellass 2023	Table 2, p. 7, row 6 report
Nd3Ru		-18.79 kJ/mol-atom	0	DFT			[1] Kardellass 2023 cites Jain 2013 doi	Table 2, p. 7, row 7 report
Nd3Ru		-18.117 kJ/mol-atom	0	DFT			[1] Kardellass 2023 cites Kirklin 2015 doi	Table 2, p. 7, row 8 report
Nd3Ru	Nd3Ru	-16.974 kJ/mol-atom		model	-18.787 (mp-aaackyoa)	-18.159 (oqmd-1437319)	[1] Kardellass 2023	Table 2, p. 7, row 4 report
Nd3Ru	Nd3Ru	-15.183 kJ/mol-atom		model	-18.787 (mp-aaackyoa)	-18.159 (oqmd-1437319)	[1] Kardellass 2023	Table 2, p. 7, row 3 report
Nd3Ru	Nd3Ru	-15.08 kJ/mol-atom		model	-18.787 (mp-aaackyoa)	-18.159 (oqmd-1437319)	[1] Kardellass 2023	Table 2, p. 7, row 2 report
Nd7Ru3	Nd7Ru3	-30.181 kJ/mol-atom		model		-20.935 (oqmd-2052989)	[1] Kardellass 2023 cites Debski 2014 doi	Table 2, p. 7, row 27 report
Nd7Ru3	Nd7Ru3	-25.367 kJ/mol-atom		model		-20.935 (oqmd-2052989)	[1] Kardellass 2023 cites Zhang 2007 doi	Table 2, p. 7, row 29 report
Nd7Ru3		-25.145 kJ/mol-atom	0	DFT			[1] Kardellass 2023	Table 2, p. 7, row 28 report
Nd7Ru3	Nd7Ru3	-17.529 kJ/mol-atom		model		-20.935 (oqmd-2052989)	[1] Kardellass 2023	Table 2, p. 7, row 26 report
Nd7Ru3	Nd7Ru3	-16.331 kJ/mol-atom		model		-20.935 (oqmd-2052989)	[1] Kardellass 2023	Table 2, p. 7, row 25 report
Nd7Ru3	Nd7Ru3	-15.118 kJ/mol-atom		model		-20.935 (oqmd-2052989)	[1] Kardellass 2023	Table 2, p. 7, row 24 report
NdRu2	NdRu2	-21.949 kJ/mol-atom		model	-15.122 (mp-aaacksmz)	-13.816 (oqmd-1367905)	[1] Kardellass 2023	Table 2, p. 7, row 35 report
NdRu2	NdRu2	-16.65 kJ/mol-atom		model	-15.122 (mp-aaacksmz)	-13.816 (oqmd-1367905)	[1] Kardellass 2023	Table 2, p. 7, row 34 report
NdRu2	NdRu2	-16.185 kJ/mol-atom		model	-15.122 (mp-aaacksmz)	-13.816 (oqmd-1367905)	[1] Kardellass 2023	Table 2, p. 7, row 33 report

Other properties

Formation (18)

Formation, Nd–Ru system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy of formation printed: ΔSf	-2.023 J/mol-atom/K		Nd3Ru alloy: Nd 0.75, Ru 0.25	model	[1] Kardellass 2023	Table 2, p. 7, row 4 report
Entropy of formation printed: ΔSf	-0.002 J/mol-atom/K		Nd3Ru alloy: Nd 0.75, Ru 0.25	model	[1] Kardellass 2023	Table 2, p. 7, row 3 report
Entropy of formation printed: ΔSf	-1.222 J/mol-atom/K		Nd3Ru alloy: Nd 0.75, Ru 0.25	model	[1] Kardellass 2023	Table 2, p. 7, row 2 report
Entropy of formation printed: ΔSf	-0.124 J/mol-atom/K		Nd7Ru3 alloy: Nd 0.7, Ru 0.3	model	[1] Kardellass 2023	Table 2, p. 7, row 24 report
Entropy of formation printed: ΔSf	-0.12 J/mol-atom/K		Nd7Ru3 alloy: Nd 0.7, Ru 0.3	model	[1] Kardellass 2023	Table 2, p. 7, row 25 report
Entropy of formation printed: ΔSf	-1.372 J/mol-atom/K		Nd7Ru3 alloy: Nd 0.7, Ru 0.3	model	[1] Kardellass 2023	Table 2, p. 7, row 26 report
Entropy of formation printed: ΔSf	-2.3 J/mol-atom/K		NdRu2 alloy: Nd 0.333333, Ru 0.666667	model	[1] Kardellass 2023	Table 2, p. 7, row 34 report
Entropy of formation printed: ΔSf	-0.024 J/mol-atom/K		NdRu2 alloy: Nd 0.333333, Ru 0.666667	model	[1] Kardellass 2023	Table 2, p. 7, row 33 report
Entropy of formation printed: ΔSf	-5.001 J/mol-atom/K		NdRu2 alloy: Nd 0.333333, Ru 0.666667	model	[1] Kardellass 2023	Table 2, p. 7, row 35 report
Gibbs energy of formation printed: ΔGf	-16.211 kJ/mol-atom		Nd7Ru3 alloy: Nd 0.7, Ru 0.3	model	[1] Kardellass 2023	Table 2, p. 7, row 25 report
Gibbs energy of formation printed: ΔGf	-16.157 kJ/mol-atom		Nd7Ru3 alloy: Nd 0.7, Ru 0.3	model	[1] Kardellass 2023	Table 2, p. 7, row 26 report
Gibbs energy of formation printed: ΔGf	-16.947 kJ/mol-atom		NdRu2 alloy: Nd 0.333333, Ru 0.666667	model	[1] Kardellass 2023	Table 2, p. 7, row 35 report
Gibbs energy of formation printed: ΔGf at 1000 K	-14.95 kJ/mol-atom	1000	Nd3Ru alloy: Nd 0.75, Ru 0.25	model	[1] Kardellass 2023	Table 2, p. 7, row 4 report
Gibbs energy of formation printed: ΔGf at 1000 K	-15.181 kJ/mol-atom	1000	Nd3Ru alloy: Nd 0.75, Ru 0.25	model	[1] Kardellass 2023	Table 2, p. 7, row 3 report
Gibbs energy of formation printed: ΔGf at 1000 K	-13.858 kJ/mol-atom	1000	Nd3Ru alloy: Nd 0.75, Ru 0.25	model	[1] Kardellass 2023	Table 2, p. 7, row 2 report
Gibbs energy of formation printed: ΔGf at 1000 K	-14.994 kJ/mol-atom	1000	Nd7Ru3 alloy: Nd 0.7, Ru 0.3	model	[1] Kardellass 2023	Table 2, p. 7, row 24 report
Gibbs energy of formation printed: ΔGf at 1000 K	-14.349 kJ/mol-atom	1000	NdRu2 alloy: Nd 0.333333, Ru 0.666667	model	[1] Kardellass 2023	Table 2, p. 7, row 34 report
Gibbs energy of formation printed: ΔGf at 1000 K	-16.161 kJ/mol-atom	1000	NdRu2 alloy: Nd 0.333333, Ru 0.666667	model	[1] Kardellass 2023	Table 2, p. 7, row 33 report

Crystal structure (35)

Crystal structure, Nd–Ru system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	7.359 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 5 report
Lattice a	7.349 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 4 report
Lattice a	7.353 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 6 report
Lattice a	7.355 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25; Nd3Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 3 report
Lattice a	7.303 Å	890 (<)	Nd₇Ru₃ Nd₇Ru₃: Ru 0.3; Nd7Ru3: Ru 0.3	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 10 report
Lattice a	16.289 Å	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 8 report
Lattice a	16.295 Å	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286; Nd5Ru2: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 7 report
Lattice a	16.29 Å	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 9 report
Lattice a	7.608 Å	1600 (>)	NdRu₂ NdRu₂: Ru 0.667	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 16 report
Lattice a	7.614 Å	1600 (>)	NdRu₂ NdRu₂: Ru 0.667; NdRu2: Ru 0.667	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 12 report
Lattice a	7.612 Å	1600 (>)	NdRu₂ NdRu₂: Ru 0.667	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 13 report
Lattice a	5.293 Å	1600 (>)	NdRu₂ NdRu₂: Ru 0.667	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 17 report
Lattice a	7.637 Å	1600 (>)	NdRu₂ NdRu₂: Ru 0.667	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 14 report
Lattice a	5.323 Å	1600 (>)	NdRu₂ NdRu₂: Ru 0.667	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 15 report
Lattice b	9.65 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 5 report
Lattice b	9.655 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 4 report
Lattice b	9.649 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 6 report
Lattice b	9.675 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25; Nd3Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 3 report
Lattice b	22.83 Å	890 (<)	Nd₇Ru₃ Nd₇Ru₃: Ru 0.3; Nd7Ru3: Ru 0.3	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 10 report
Lattice b	6.505 Å	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 8 report
Lattice b	6.509 Å	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286; Nd5Ru2: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 7 report
Lattice b	6.503 Å	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 9 report
Lattice c	6.448 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 5 report
Lattice c	6.399 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 4 report
Lattice c	6.406 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 6 report
Lattice c	6.406 Å	880 (<)	Nd₃Ru Nd₃Ru: Ru 0.25; Nd3Ru: Ru 0.25	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 3 report
Lattice c	6.532 Å	890 (<)	Nd₇Ru₃ Nd₇Ru₃: Ru 0.3; Nd7Ru3: Ru 0.3	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 10 report
Lattice c	7.339 Å	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 8 report
Lattice c	7.342 Å	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286; Nd5Ru2: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 7 report
Lattice c	7.33 Å	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 9 report
Lattice c	8.955 Å	1600 (>)	NdRu₂ NdRu₂: Ru 0.667	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 17 report
Lattice c	9.004 Å	1600 (>)	NdRu₂ NdRu₂: Ru 0.667	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 15 report
lattice beta	96.66 °	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 8 report
lattice beta	96.67 °	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286; Nd5Ru2: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 7 report
lattice beta	96.63 °	915 (<)	Nd₅Ru₂ Nd₅Ru₂: Ru 0.286	unspecified	[1] Kardellass 2023	Table 1, p. 6, row 9 report

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

S. Kardellass, V. P. Vassiliev, K. Mahdouk, N. Laaroussi, N. Selhaoui, Excess Thermodynamic Properties of Solutions in Ln-Ru (Ln = Nd, Gd, Dy) Binary Systems Based on Quadratic, Exponential and Combined Models Supported by Ab-Initio Calculations, J. Phase Equilib. Diffus. 44, 43-75 (2023). doi:10.1007/s11669-022-01023-x

Please cite

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). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23736065

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); A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0); B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file. 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.

@misc{orchid_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@misc{orchid_data_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23736065},
  url       = {https://doi.org/10.5281/zenodo.23736065},
  note      = {Version 1, machine-extracted}
}