{ "counts": { "above_hull": 71, "entries": 129, "intervals": 7, "vertices": 8 }, "elements": [ "LI", "ZN" ], "flags": [ "has_intermediate_compounds", "mp_agreement_not_comparable", "theoretical_vertices" ], "isotherms": [ { "intervals": [ { "intercept": 0.0, "kind": "two_phase", "left": { "phase": "oqmd-30676", "x": 0.0 }, "mu_a_rel": 0.0, "mu_b_rel": -0.4515317350000005, "right": { "phase": "oqmd-2131567", "x": 0.4 }, "slope": -0.4515317350000005, "x_hi": 0.4, "x_lo": 0.0 }, { "intercept": -0.016392830000001052, "kind": "two_phase", "left": { "phase": "oqmd-2131567", "x": 0.4 }, "mu_a_rel": -0.016392830000001052, "mu_b_rel": -0.42694248999999895, "right": { "phase": "oqmd-17611", "x": 0.5 }, "slope": -0.4105496599999979, "x_hi": 0.5, "x_lo": 0.4 }, { "intercept": -0.3090257900000004, "kind": "two_phase", "left": { "phase": "oqmd-17611", "x": 0.5 }, "mu_a_rel": -0.3090257900000004, "mu_b_rel": -0.1343095299999995, "right": { "phase": "oqmd-2132001", "x": 0.6923076923076923 }, "slope": 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"phase": "oqmd-2136439", "phase_kind": "structure", "spacegroup_number": 173, "spacegroup_symbol": "P63", "theoretical": true, "x": 0.7692307692307693 }, { "collinear": false, "degenerate": [], "energy": -0.11255043615384626, "energy_per_atom": -1.4755894623076922, "entries_at_x": 1, "formula": "Li2 Zn11", "nsites": 39, "phase": "oqmd-2141533", "phase_kind": "structure", "spacegroup_number": 200, "spacegroup_symbol": "Pm-3", "theoretical": true, "x": 0.8461538461538461 }, { "collinear": false, "degenerate": [], "energy": 0.0, "energy_per_atom": -1.2660268, "entries_at_x": 31, "formula": "Zn1", "nsites": 2, "phase": "oqmd-122929", "phase_kind": "structure", "spacegroup_number": 194, "spacegroup_symbol": "P63/mmc", "theoretical": false, "x": 1.0 } ] } ], "mp_agreement": { "comparable": false, "comparable_note": "is_stable is derived by the extraction, not an upstream flag, so comparing it against a hull recomputed from the same energies tests the derivation rather than the data", "max_abs_delta_energy_above_hull": 8.335970386186276e-10, "only_mp_stable": [ "oqmd-ref-Li", "oqmd-ref-Zn" ], "only_ours_stable": [], "stable_sets_match": false }, "provenance": { "above_hull_window_eV": 0.05, "builder_version": 1, "collinear_tol": 1e-12, "correction_model": "OQMD fit-partial ('standard' fit, applied upstream by OQMD; none added)", "degenerate_tol": 1e-06, "entry_pool": "all_nondeprecated", "is_stable_source": "derived", "observed_at": "2026-09-05T17:02:03Z", "snapshot_scope_elements": [], "snapshot_scope_kind": "full", "snapshot_sha256": "2a9393262c52ec35600424236c352a4cdb3291c8b25c1c6588f5e62abe8e0d8d", "source_release": "qmdb_v1_8_022026", "stability_tol": 0.0001, "thermo_type": "standard", "upstream_energy_corrections": "OQMD 'standard' fit (fit-partial of Kirklin et al. 2015): elemental reference energies of a subset of elements fitted to experimental formation enthalpies, applied by OQMD" }, "reference": { "kind": "dft_fitted_elemental_reference_0K", "per": "atom", "temperature_K": 0.0, "units": "eV/atom" }, "schema_version": 1, "system_id": "LI-ZN", "x_element": "ZN" }