{
  "counts": {
    "above_hull": 29,
    "entries": 120,
    "intervals": 8,
    "vertices": 9
  },
  "elements": [
    "AU",
    "ZR"
  ],
  "flags": [
    "has_intermediate_compounds",
    "mp_agreement_not_comparable",
    "theoretical_vertices"
  ],
  "isotherms": [
    {
      "intervals": [
        {
          "intercept": 0.0,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-636382",
            "x": 0.0
          },
          "mu_a_rel": 0.0,
          "mu_b_rel": -2.0934832174999998,
          "right": {
            "phase": "oqmd-31356",
            "x": 0.2
          },
          "slope": -2.0934832174999998,
          "x_hi": 0.2,
          "x_lo": 0.0
        },
        {
          "intercept": -0.10365315749999593,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-31356",
            "x": 0.2
          },
          "mu_a_rel": -0.10365315749999593,
          "mu_b_rel": -1.6788705875000163,
          "right": {
            "phase": "oqmd-28234",
            "x": 0.25
          },
          "slope": -1.5752174300000203,
          "x_hi": 0.25,
          "x_lo": 0.2
        },
        {
          "intercept": -0.26552385000000617,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-28234",
            "x": 0.25
          },
          "mu_a_rel": -0.26552385000000617,
          "mu_b_rel": -1.1932585099999855,
          "right": {
            "phase": "oqmd-28235",
            "x": 0.3333333333333333
          },
          "slope": -0.9277346599999794,
          "x_hi": 0.3333333333333333,
          "x_lo": 0.25
        },
        {
          "intercept": -0.5705594362499957,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-28235",
            "x": 0.3333333333333333
          },
          "mu_a_rel": -0.5705594362499957,
          "mu_b_rel": -0.5831873375000065,
          "right": {
            "phase": "oqmd-2136792",
            "x": 0.4117647058823529
          },
          "slope": -0.012627901250010842,
          "x_hi": 0.4117647058823529,
          "x_lo": 0.3333333333333333
        },
        {
          "intercept": -0.732969058333334,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-2136792",
            "x": 0.4117647058823529
          },
          "mu_a_rel": -0.732969058333334,
          "mu_b_rel": -0.3511735916666659,
          "right": {
            "phase": "oqmd-1368329",
            "x": 0.5
          },
          "slope": 0.38179546666666814,
          "x_hi": 0.5,
          "x_lo": 0.4117647058823529
        },
        {
          "intercept": -0.915512169999998,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-1368329",
            "x": 0.5
          },
          "mu_a_rel": -0.915512169999998,
          "mu_b_rel": -0.16863048000000203,
          "right": {
            "phase": "oqmd-18742",
            "x": 0.6666666666666666
          },
          "slope": 0.7468816899999959,
          "x_hi": 0.6666666666666666,
          "x_lo": 0.5
        },
        {
          "intercept": -1.000759350000014,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-18742",
            "x": 0.6666666666666666
          },
          "mu_a_rel": -1.000759350000014,
          "mu_b_rel": -0.1260068899999941,
          "right": {
            "phase": "oqmd-10833",
            "x": 0.75
          },
          "slope": 0.8747524600000199,
          "x_hi": 0.75,
          "x_lo": 0.6666666666666666
        },
        {
          "intercept": -1.378780019999996,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-10833",
            "x": 0.75
          },
          "mu_a_rel": -1.378780019999996,
          "mu_b_rel": 0.0,
          "right": {
            "phase": "oqmd-67408",
            "x": 1.0
          },
          "slope": 1.378780019999996,
          "x_hi": 1.0,
          "x_lo": 0.75
        }
      ],
      "temperature_K": 0.0,
      "vertices": [
        {
          "collinear": false,
          "degenerate": [],
          "energy": 0.0,
          "energy_per_atom": -3.26680174,
          "entries_at_x": 32,
          "formula": "Au1",
          "nsites": 1,
          "phase": "oqmd-636382",
          "phase_kind": "structure",
          "spacegroup_number": 225,
          "spacegroup_symbol": "Fm-3m",
          "theoretical": false,
          "x": 0.0
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.4186966435,
          "energy_per_atom": -4.7415725055,
          "entries_at_x": 2,
          "formula": "Au4 Zr1",
          "nsites": 20,
          "phase": "oqmd-31356",
          "phase_kind": "structure",
          "spacegroup_number": 62,
          "spacegroup_symbol": "Pnma",
          "theoretical": false,
          "x": 0.2
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.497457515000001,
          "energy_per_atom": -5.0843519075,
          "entries_at_x": 5,
          "formula": "Au3 Zr1",
          "nsites": 8,
          "phase": "oqmd-28234",
          "phase_kind": "structure",
          "spacegroup_number": 59,
          "spacegroup_symbol": "Pmmn",
          "theoretical": false,
          "x": 0.25
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.574768736666666,
          "energy_per_atom": -5.60169401333333,
          "entries_at_x": 3,
          "formula": "Au2 Zr1",
          "nsites": 3,
          "phase": "oqmd-28235",
          "phase_kind": "structure",
          "spacegroup_number": 139,
          "spacegroup_symbol": "I4/mmm",
          "theoretical": false,
          "x": 0.3333333333333333
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.5757591602941178,
          "energy_per_atom": -6.016831151470589,
          "entries_at_x": 1,
          "formula": "Au10 Zr7",
          "nsites": 34,
          "phase": "oqmd-2136792",
          "phase_kind": "structure",
          "spacegroup_number": 64,
          "spacegroup_symbol": "Cmca",
          "theoretical": true,
          "x": 0.4117647058823529
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.542071325,
          "energy_per_atom": -6.44905837,
          "entries_at_x": 24,
          "formula": "Au1 Zr1",
          "nsites": 4,
          "phase": "oqmd-1368329",
          "phase_kind": "structure",
          "spacegroup_number": 129,
          "spacegroup_symbol": "P4/nmm",
          "theoretical": true,
          "x": 0.5
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.417591043333334,
          "energy_per_atom": -7.20463985666667,
          "entries_at_x": 8,
          "formula": "Au1 Zr2",
          "nsites": 3,
          "phase": "oqmd-18742",
          "phase_kind": "structure",
          "spacegroup_number": 139,
          "spacegroup_symbol": "I4/mmm",
          "theoretical": false,
          "x": 0.6666666666666666
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.344695004999999,
          "energy_per_atom": -7.5717747025,
          "entries_at_x": 6,
          "formula": "Au1 Zr3",
          "nsites": 8,
          "phase": "oqmd-10833",
          "phase_kind": "structure",
          "spacegroup_number": 223,
          "spacegroup_symbol": "Pm-3n",
          "theoretical": false,
          "x": 0.75
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": 0.0,
          "energy_per_atom": -8.54717235,
          "entries_at_x": 30,
          "formula": "Zr1",
          "nsites": 2,
          "phase": "oqmd-67408",
          "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": 0.004200373749999486,
    "only_mp_stable": [
      "oqmd-758445",
      "oqmd-ref-Au",
      "oqmd-ref-Zr"
    ],
    "only_ours_stable": [
      "oqmd-1368329",
      "oqmd-28234"
    ],
    "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": "AU-ZR",
  "x_element": "ZR"
}
