{
  "counts": {
    "above_hull": 0,
    "entries": 7,
    "intervals": 6,
    "vertices": 7
  },
  "elements": [
    "H",
    "ZR"
  ],
  "flags": [
    "gas_on_hull",
    "has_intermediate_phases",
    "solution_phases"
  ],
  "isotherms": [
    {
      "element_reference": {
        "H": {
          "energy": -19464.805786766574,
          "phase": "H2GAS"
        },
        "ZR": {
          "energy": -11681.783873147626,
          "phase": "HCP_A3"
        }
      },
      "intervals": [
        {
          "enthalpy": {
            "intercept": 0.0,
            "slope": -169367.64740907997
          },
          "entropy": {
            "intercept": 0.0,
            "slope": -136.28346437659803
          },
          "intercept": 0.0,
          "kind": "two_phase",
          "left": {
            "phase": "H2GAS",
            "x": 0.0
          },
          "mu_a_rel": 0.0,
          "mu_b_rel": -128734.73250519727,
          "right": {
            "phase": "ZRH2_L2B",
            "x": 0.333333333333338
          },
          "slope": -128734.73250519727,
          "x_hi": 0.333333333333338,
          "x_lo": 0.0
        },
        {
          "enthalpy": {
            "entropy_form": null,
            "hermite": [
              [
                -56455.882469694116,
                1.9279715362127656,
                0.0064406635872351625,
                -0.0032189653800365203
              ]
            ],
            "knots": [
              0.333333333333338,
              0.3333486505955676
            ],
            "max_abs_error": 0.0004617906961357221
          },
          "entropy": {
            "entropy_form": {
              "R": 8.31446261815324,
              "kind": "ideal_mixing_entropy"
            },
            "hermite": [
              [
                -50.720094717078794,
                0.006854588826963966,
                -0.003288962207692839,
                0.001453533132691723
              ]
            ],
            "knots": [
              0.333333333333338,
              0.3333486505955676
            ],
            "max_abs_error": 0.00016202147765653763
          },
          "entropy_form": {
            "RT": 2478.957029602388,
            "kind": "ideal_mixing"
          },
          "hermite": [
            [
              -41333.68622979707,
              -0.11572412306984137,
              0.9870447463547231,
              -0.43658986890680407
            ]
          ],
          "kind": "single_phase",
          "knots": [
            0.333333333333338,
            0.3333486505955676
          ],
          "max_abs_error": 0.048764855484478176,
          "phase": "ZRH2_L2B",
          "x_hi": 0.3333486505955676,
          "x_lo": 0.333333333333338
        },
        {
          "enthalpy": {
            "intercept": -66695.10804355299,
            "slope": 30722.058567797565
          },
          "entropy": {
            "intercept": -41.649569833497644,
            "slope": -11.31891245889698
          },
          "intercept": -54277.28879769584,
          "kind": "two_phase",
          "left": {
            "phase": "ZRH2_L2B",
            "x": 0.3333486505955676
          },
          "mu_a_rel": -54277.28879769584,
          "mu_b_rel": -20180.496480277667,
          "right": {
            "phase": "ZRH2_C1",
            "x": 0.3668658803165147
          },
          "slope": 34096.79231741817,
          "x_hi": 0.3668658803165147,
          "x_lo": 0.3333486505955676
        },
        {
          "enthalpy": {
            "entropy_form": null,
            "hermite": [
              [
                -55424.23298194242,
                1288.873845682835,
                503.4620156791216,
                -58.17365254544802
              ]
            ],
            "knots": [
              0.3668658803165147,
              0.38837169378773395
            ],
            "max_abs_error": 0.32890676856186474
          },
          "entropy": {
            "entropy_form": {
              "R": 8.31446261815324,
              "kind": "ideal_mixing_entropy"
            },
            "hermite": [
              [
                -51.26691081884845,
                1.7657966957042475,
                0.2765018565334989,
                -0.026871694989465844
              ]
            ],
            "knots": [
              0.3668658803165147,
              0.38837169378773395
            ],
            "max_abs_error": 6.506317009069562e-05
          },
          "entropy_form": {
            "RT": 2478.957029602388,
            "kind": "ideal_mixing"
          },
          "hermite": [
            [
              -40139.003521302744,
              762.4015608586718,
              421.02298715238976,
              -50.16185668312937
            ]
          ],
          "kind": "single_phase",
          "knots": [
            0.3668658803165147,
            0.38837169378773395
          ],
          "max_abs_error": 0.3472877518142923,
          "phase": "ZRH2_C1",
          "x_hi": 0.38837169378773395,
          "x_lo": 0.3668658803165147
        },
        {
          "enthalpy": {
            "intercept": -87782.23341020959,
            "slope": 87782.30541105519
          },
          "entropy": {
            "intercept": -71.44437897365225,
            "slope": 71.44463444949155
          },
          "intercept": -66481.09181921516,
          "kind": "two_phase",
          "left": {
            "phase": "ZRH2_C1",
            "x": 0.38837169378773395
          },
          "mu_a_rel": -66481.09181921516,
          "mu_b_rel": -0.004169275882304646,
          "right": {
            "phase": "HCP_A3",
            "x": 0.999998279319086
          },
          "slope": 66481.08764993928,
          "x_hi": 0.999998279319086,
          "x_lo": 0.38837169378773395
        },
        {
          "enthalpy": {
            "entropy_form": null,
            "hermite": [
              [
                -0.07904449189598081,
                0.07908982444154525,
                0.004140091976931548,
                -0.004185424522495984
              ]
            ],
            "knots": [
              0.999998279319086,
              1.0
            ],
            "max_abs_error": 0.0005997962936892566
          },
          "entropy": {
            "entropy_form": {
              "R": 8.31446261815324,
              "kind": "ideal_mixing_entropy"
            },
            "hermite": [
              [
                -7.1651774143149e-05,
                7.148787357236199e-05,
                -1.487626727986233e-05,
                1.5040167850649333e-05
              ]
            ],
            "knots": [
              0.999998279319086,
              1.0
            ],
            "max_abs_error": 2.1553622410020755e-06
          },
          "entropy_form": {
            "RT": 2478.957029602388,
            "kind": "ideal_mixing"
          },
          "hermite": [
            [
              -0.057681515433798916,
              0.057775715142415134,
              0.008575450716316428,
              -0.008669650424932632
            ]
          ],
          "kind": "single_phase",
          "knots": [
            0.999998279319086,
            1.0
          ],
          "max_abs_error": 0.0012424175706709645,
          "phase": "HCP_A3",
          "x_hi": 1.0,
          "x_lo": 0.999998279319086
        }
      ],
      "temperature_K": 298.15,
      "vertices": [
        {
          "collinear": false,
          "degenerate": [],
          "energy": 0.0,
          "energy_per_atom": 0.0,
          "enthalpy": 0.0,
          "entries_at_x": 1,
          "entropy": 0.0,
          "formula": "",
          "nsites": null,
          "phase": "H2GAS",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.0
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -42911.57750173302,
          "energy_per_atom": -42911.57750173302,
          "enthalpy": -56455.882469694116,
          "entries_at_x": 1,
          "entropy": -45.427821458866646,
          "formula": "",
          "nsites": null,
          "phase": "ZRH2_L2B",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.333333333333338
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -42911.16908904717,
          "energy_per_atom": -42911.16908904717,
          "enthalpy": -56453.95127645968,
          "entries_at_x": 1,
          "entropy": -45.42271402788031,
          "formula": "",
          "nsites": null,
          "phase": "ZRH2_L2B",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.3333486505955676
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -41768.339068196845,
          "energy_per_atom": -41768.339068196845,
          "enthalpy": -55424.23298194242,
          "entries_at_x": 1,
          "entropy": -45.80209261695645,
          "formula": "",
          "nsites": null,
          "phase": "ZRH2_C1",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.3668658803165147
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -40661.719203757435,
          "energy_per_atom": -40661.719203757435,
          "enthalpy": -53690.07077312592,
          "entries_at_x": 1,
          "entropy": -43.69730528045773,
          "formula": "",
          "nsites": null,
          "phase": "ZRH2_C1",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.38837169378773395
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.11856201453338144,
          "energy_per_atom": -0.11856201453338144,
          "enthalpy": -0.07904449189598081,
          "entries_at_x": 1,
          "entropy": 0.00013254242038840403,
          "formula": "",
          "nsites": null,
          "phase": "HCP_A3",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.999998279319086
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": 0.0,
          "energy_per_atom": 0.0,
          "enthalpy": 0.0,
          "entries_at_x": 1,
          "entropy": 0.0,
          "formula": "",
          "nsites": null,
          "phase": "HCP_A3",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 1.0
        }
      ]
    }
  ],
  "mp_agreement": {
    "comparable": false,
    "comparable_note": "CALPHAD isotherms have no upstream stability flag to compare against",
    "max_abs_delta_energy_above_hull": 0.0,
    "only_mp_stable": [],
    "only_ours_stable": [],
    "stable_sets_match": true
  },
  "provenance": {
    "assessment": "ZrH-97Ans-LB",
    "builder_version": 1,
    "engine": {
      "numpy": "2.5.1",
      "pycalphad": "0.11.2",
      "python": "3.13.15"
    },
    "fit_tol": 1.0,
    "observed_at": "2026-09-03T01:29:18Z",
    "phase_families": {},
    "sample_conditions": {
      "endpoint_tol": 1.0,
      "fit_samples": 65,
      "order_tol": 0.0001,
      "pressure_Pa": 101325.0,
      "redundant_tol": 1.0,
      "refine_tol": 1e-07,
      "step": 0.002,
      "temperature_K": 298.15
    },
    "source_path": "databases/sgte-binary/ZrH-97Ans-LB.tdb",
    "source_sha256": "f302dce07f653afb757c127f1dce97a731f04827596bf0b32274d10d938b3dc5"
  },
  "reference": {
    "kind": "calphad_formation_T",
    "per": "mole_atoms",
    "temperature_K": 298.15,
    "units": "J/mol-atoms"
  },
  "schema_version": 1,
  "system_id": "H-ZR",
  "x_element": "ZR"
}