{
  "counts": {
    "above_hull": 19,
    "entries": 99,
    "intervals": 11,
    "vertices": 12
  },
  "elements": [
    "PD",
    "SC"
  ],
  "flags": [
    "has_intermediate_compounds",
    "mp_agreement_not_comparable",
    "theoretical_vertices"
  ],
  "isotherms": [
    {
      "intervals": [
        {
          "intercept": 0.0,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-ref-Pd",
            "x": 0.0
          },
          "mu_a_rel": 0.0,
          "mu_b_rel": -3.723182555000004,
          "right": {
            "phase": "oqmd-1370788",
            "x": 0.1111111111111111
          },
          "slope": -3.723182555000004,
          "x_hi": 0.1111111111111111,
          "x_lo": 0.0
        },
        {
          "intercept": -0.04568114666667006,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-1370788",
            "x": 0.1111111111111111
          },
          "mu_a_rel": -0.04568114666667006,
          "mu_b_rel": -3.3577333816666437,
          "right": {
            "phase": "oqmd-1364970",
            "x": 0.16666666666666666
          },
          "slope": -3.3120522349999737,
          "x_hi": 0.16666666666666666,
          "x_lo": 0.1111111111111111
        },
        {
          "intercept": -0.08428229999999692,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-1364970",
            "x": 0.16666666666666666
          },
          "mu_a_rel": -0.08428229999999692,
          "mu_b_rel": -3.164727615000009,
          "right": {
            "phase": "oqmd-17945",
            "x": 0.25
          },
          "slope": -3.0804453150000124,
          "x_hi": 0.25,
          "x_lo": 0.16666666666666666
        },
        {
          "intercept": -0.6588225250000042,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-17945",
            "x": 0.25
          },
          "mu_a_rel": -0.6588225250000042,
          "mu_b_rel": -1.4411069399999874,
          "right": {
            "phase": "oqmd-1977873",
            "x": 0.3
          },
          "slope": -0.7822844149999832,
          "x_hi": 0.3,
          "x_lo": 0.25
        },
        {
          "intercept": -0.8251782099999931,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-1977873",
            "x": 0.3
          },
          "mu_a_rel": -0.8251782099999931,
          "mu_b_rel": -1.0529436750000134,
          "right": {
            "phase": "oqmd-2132181",
            "x": 0.3125
          },
          "slope": -0.2277654650000203,
          "x_hi": 0.3125,
          "x_lo": 0.3
        },
        {
          "intercept": -0.8254667318749984,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-2132181",
            "x": 0.3125
          },
          "mu_a_rel": -0.8254667318749984,
          "mu_b_rel": -1.0523089268750017,
          "right": {
            "phase": "oqmd-2021703",
            "x": 0.375
          },
          "slope": -0.22684219500000324,
          "x_hi": 0.375,
          "x_lo": 0.3125
        },
        {
          "intercept": -0.8835035399999993,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-2021703",
            "x": 0.375
          },
          "mu_a_rel": -0.8835035399999993,
          "mu_b_rel": -0.9555809133333335,
          "right": {
            "phase": "oqmd-1979262",
            "x": 0.42857142857142855
          },
          "slope": -0.07207737333333422,
          "x_hi": 0.42857142857142855,
          "x_lo": 0.375
        },
        {
          "intercept": -0.9563355249999979,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-1979262",
            "x": 0.42857142857142855
          },
          "mu_a_rel": -0.9563355249999979,
          "mu_b_rel": -0.8584716000000021,
          "right": {
            "phase": "oqmd-17944",
            "x": 0.5
          },
          "slope": 0.09786392499999572,
          "x_hi": 0.5,
          "x_lo": 0.42857142857142855
        },
        {
          "intercept": -1.635057202500001,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-17944",
            "x": 0.5
          },
          "mu_a_rel": -1.635057202500001,
          "mu_b_rel": -0.179749922499999,
          "right": {
            "phase": "oqmd-2053108",
            "x": 0.6666666666666666
          },
          "slope": 1.455307280000002,
          "x_hi": 0.6666666666666666,
          "x_lo": 0.5
        },
        {
          "intercept": -1.9696332162500036,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-2053108",
            "x": 0.6666666666666666
          },
          "mu_a_rel": -1.9696332162500036,
          "mu_b_rel": -0.012461915624997433,
          "right": {
            "phase": "oqmd-2136435",
            "x": 0.7692307692307693
          },
          "slope": 1.9571713006250062,
          "x_hi": 0.7692307692307693,
          "x_lo": 0.6666666666666666
        },
        {
          "intercept": -2.011172934999996,
          "kind": "two_phase",
          "left": {
            "phase": "oqmd-2136435",
            "x": 0.7692307692307693
          },
          "mu_a_rel": -2.011172934999996,
          "mu_b_rel": 0.0,
          "right": {
            "phase": "oqmd-8146",
            "x": 1.0
          },
          "slope": 2.011172934999996,
          "x_hi": 1.0,
          "x_lo": 0.7692307692307693
        }
      ],
      "temperature_K": 0.0,
      "vertices": [
        {
          "collinear": false,
          "degenerate": [],
          "energy": 0.0,
          "energy_per_atom": -5.176718,
          "entries_at_x": 31,
          "formula": "Pd",
          "nsites": null,
          "phase": "oqmd-ref-Pd",
          "phase_kind": "structure",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.0
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.413686950555556,
          "energy_per_atom": -5.718366202222223,
          "entries_at_x": 1,
          "formula": "Pd8 Sc1",
          "nsites": 9,
          "phase": "oqmd-1370788",
          "phase_kind": "structure",
          "spacegroup_number": 139,
          "spacegroup_symbol": "I4/mmm",
          "theoretical": true,
          "x": 0.1111111111111111
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.597689852499999,
          "energy_per_atom": -5.9663496,
          "entries_at_x": 2,
          "formula": "Pd5 Sc1",
          "nsites": 6,
          "phase": "oqmd-1364970",
          "phase_kind": "structure",
          "spacegroup_number": 65,
          "spacegroup_symbol": "Cmmm",
          "theoretical": true,
          "x": 0.16666666666666666
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.85439362875,
          "energy_per_atom": -6.31902412,
          "entries_at_x": 4,
          "formula": "Pd3 Sc1",
          "nsites": 4,
          "phase": "oqmd-17945",
          "phase_kind": "structure",
          "spacegroup_number": 221,
          "spacegroup_symbol": "Pm-3m",
          "theoretical": false,
          "x": 0.25
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.8935078494999992,
          "energy_per_atom": -6.415720787,
          "entries_at_x": 1,
          "formula": "Pd7 Sc3",
          "nsites": 10,
          "phase": "oqmd-1977873",
          "phase_kind": "structure",
          "spacegroup_number": 12,
          "spacegroup_symbol": "C2/m",
          "theoretical": true,
          "x": 0.3
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.8963549178124994,
          "energy_per_atom": -6.432963466875,
          "entries_at_x": 1,
          "formula": "Pd11 Sc5",
          "nsites": 16,
          "phase": "oqmd-2132181",
          "phase_kind": "structure",
          "spacegroup_number": 10,
          "spacegroup_symbol": "P2/m",
          "theoretical": true,
          "x": 0.3125
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.9105325549999996,
          "energy_per_atom": -6.519119161875,
          "entries_at_x": 2,
          "formula": "Pd5 Sc3",
          "nsites": 16,
          "phase": "oqmd-2021703",
          "phase_kind": "structure",
          "spacegroup_number": 63,
          "spacegroup_symbol": "Cmcm",
          "theoretical": true,
          "x": 0.375
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.9143938428571425,
          "energy_per_atom": -6.584675927857143,
          "entries_at_x": 1,
          "formula": "Pd4 Sc3",
          "nsites": 14,
          "phase": "oqmd-1979262",
          "phase_kind": "structure",
          "spacegroup_number": 148,
          "spacegroup_symbol": "R-3",
          "theoretical": true,
          "x": 0.42857142857142855
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.9074035625,
          "energy_per_atom": -6.659946285,
          "entries_at_x": 6,
          "formula": "Pd1 Sc1",
          "nsites": 2,
          "phase": "oqmd-17944",
          "phase_kind": "structure",
          "spacegroup_number": 221,
          "spacegroup_symbol": "Pm-3m",
          "theoretical": false,
          "x": 0.5
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.6648523491666664,
          "energy_per_atom": -6.609336559166667,
          "entries_at_x": 6,
          "formula": "Pd1 Sc2",
          "nsites": 24,
          "phase": "oqmd-2053108",
          "phase_kind": "structure",
          "spacegroup_number": 227,
          "spacegroup_symbol": "Fd-3m",
          "theoretical": true,
          "x": 0.6666666666666666
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.46411683115384506,
          "energy_per_atom": -6.526718879615384,
          "entries_at_x": 1,
          "formula": "Pd3 Sc10",
          "nsites": 26,
          "phase": "oqmd-2136435",
          "phase_kind": "structure",
          "spacegroup_number": 194,
          "spacegroup_symbol": "P63/mmc",
          "theoretical": true,
          "x": 0.7692307692307693
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": 0.0,
          "energy_per_atom": -6.328367185,
          "entries_at_x": 31,
          "formula": "Sc1",
          "nsites": 2,
          "phase": "oqmd-8146",
          "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": 0.0007531750000000503,
    "only_mp_stable": [
      "oqmd-ref-Sc"
    ],
    "only_ours_stable": [
      "oqmd-17944",
      "oqmd-1979262"
    ],
    "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": "PD-SC",
  "x_element": "SC"
}