{
  "counts": {
    "above_hull": 0,
    "entries": 8,
    "intervals": 7,
    "vertices": 8
  },
  "elements": [
    "H",
    "ZR"
  ],
  "flags": [
    "gas_on_hull",
    "has_intermediate_phases",
    "solution_phases"
  ],
  "isotherms": [
    {
      "element_reference": {
        "H": {
          "energy": -19464.80578569329,
          "phase": "H2GAS"
        },
        "ZR": {
          "energy": -11681.783876310265,
          "phase": "HCP_A3"
        }
      },
      "intervals": [
        {
          "enthalpy": {
            "intercept": 0.0,
            "slope": -169499.99960638542
          },
          "entropy": {
            "intercept": 0.0,
            "slope": -140.29055603829462
          },
          "intercept": 0.0,
          "kind": "two_phase",
          "left": {
            "phase": "H2GAS",
            "x": 0.0
          },
          "mu_a_rel": 0.0,
          "mu_b_rel": -127672.37032356784,
          "right": {
            "phase": "ZRH2_L2B",
            "x": 0.3333333333333355
          },
          "slope": -127672.37032356784,
          "x_hi": 0.3333333333333355,
          "x_lo": 0.0
        },
        {
          "enthalpy": {
            "entropy_form": null,
            "hermite": [
              [
                -56499.9998687955,
                2.6881629502590174,
                -3.322578998554704e-05,
                -1.6067615041581718e-05
              ]
            ],
            "knots": [
              0.3333333333333355,
              0.3333534469088263
            ],
            "max_abs_error": 2.3052270989865065e-06
          },
          "entropy": {
            "entropy_form": {
              "R": 8.31446261815324,
              "kind": "ideal_mixing_entropy"
            },
            "hermite": [
              [
                -52.055791937643974,
                0.008928880451984743,
                -0.004366633638459818,
                0.0019324524279136467
              ]
            ],
            "knots": [
              0.3333333333333355,
              0.3333534469088263
            ],
            "max_abs_error": 0.0002161389982617834
          },
          "entropy_form": {
            "RT": 2478.957029602388,
            "kind": "ideal_mixing"
          },
          "hermite": [
            [
              -40979.565502586935,
              0.026017243507531474,
              1.3018785919515254,
              -0.576176757439815
            ]
          ],
          "kind": "single_phase",
          "knots": [
            0.3333333333333355,
            0.3333534469088263
          ],
          "max_abs_error": 0.06444412947894307,
          "phase": "ZRH2_L2B",
          "x_hi": 0.3333534469088263,
          "x_lo": 0.3333333333333355
        },
        {
          "enthalpy": {
            "intercept": -81822.45397207537,
            "slope": 75970.84251498159
          },
          "entropy": {
            "intercept": -83.52112007798826,
            "slope": 110.2859812868935
          },
          "intercept": -56920.63202082315,
          "kind": "two_phase",
          "left": {
            "phase": "ZRH2_L2B",
            "x": 0.3333534469088263
          },
          "mu_a_rel": -56920.63202082315,
          "mu_b_rel": -13831.554826528867,
          "right": {
            "phase": "FCC_A1",
            "x": 0.3754863831687849
          },
          "slope": 43089.07719429428,
          "x_hi": 0.3754863831687849,
          "x_lo": 0.3333534469088263
        },
        {
          "enthalpy": {
            "entropy_form": null,
            "hermite": [
              [
                -53296.43708983957,
                1387.5106177743046,
                309.17520332505774,
                -33.32948962868795
              ]
            ],
            "knots": [
              0.3754863831687849,
              0.39567218409043237
            ],
            "max_abs_error": 0.17300605799391633
          },
          "entropy": {
            "entropy_form": {
              "R": 8.31446261815324,
              "kind": "ideal_mixing_entropy"
            },
            "hermite": [
              [
                -47.61284025446479,
                1.6510082501860097,
                0.1553699901618446,
                -0.014653504000065931
              ]
            ],
            "knots": [
              0.3754863831687849,
              0.39567218409043237
            ],
            "max_abs_error": 1.6345163800224327e-05
          },
          "entropy_form": {
            "RT": 2478.957029602388,
            "kind": "ideal_mixing"
          },
          "hermite": [
            [
              -39100.668767970885,
              895.2625079821863,
              262.85164075839316,
              -28.960547412015558
            ]
          ],
          "kind": "single_phase",
          "knots": [
            0.3754863831687849,
            0.39567218409043237
          ],
          "max_abs_error": 0.17720245133386925,
          "phase": "FCC_A1",
          "x_hi": 0.39567218409043237,
          "x_lo": 0.3754863831687849
        },
        {
          "enthalpy": {
            "intercept": -85133.29706532051,
            "slope": 84666.59435249817
          },
          "entropy": {
            "intercept": -66.28649300221886,
            "slope": 65.8277079039043
          },
          "intercept": -65369.97917670901,
          "kind": "two_phase",
          "left": {
            "phase": "FCC_A1",
            "x": 0.39567218409043237
          },
          "mu_a_rel": -65369.97917670901,
          "mu_b_rel": -329.91593575978914,
          "right": {
            "phase": "ZRH_B17",
            "x": 0.5
          },
          "slope": 65040.06324094922,
          "x_hi": 0.5,
          "x_lo": 0.39567218409043237
        },
        {
          "enthalpy": {
            "intercept": -85600.29530328808,
            "slope": 85600.5908284333
          },
          "entropy": {
            "intercept": -66.74633918825373,
            "slope": 66.74740027597402
          },
          "intercept": -65699.87427431022,
          "kind": "two_phase",
          "left": {
            "phase": "ZRH_B17",
            "x": 0.5
          },
          "mu_a_rel": -65699.87427431022,
          "mu_b_rel": -0.020838158583501354,
          "right": {
            "phase": "HCP_A3",
            "x": 0.9999915545112477
          },
          "slope": 65699.85343615164,
          "x_hi": 0.9999915545112477,
          "x_lo": 0.5
        },
        {
          "enthalpy": {
            "entropy_form": null,
            "hermite": [
              [
                -0.42741368181396705,
                0.4274643712358502,
                0.004663801569758819,
                -0.004714490991642006
              ]
            ],
            "knots": [
              0.9999915545112477,
              1.0
            ],
            "max_abs_error": 0.0006740732109397074
          },
          "entropy": {
            "entropy_form": {
              "R": 8.31446261815324,
              "kind": "ideal_mixing_entropy"
            },
            "hermite": [
              [
                -0.00039314408614821595,
                0.0003929857805390876,
                -1.4761448573123053e-05,
                1.4919754182251383e-05
              ]
            ],
            "knots": [
              0.9999915545112477,
              1.0
            ],
            "max_abs_error": 2.1362452507606936e-06
          },
          "entropy_form": {
            "RT": 2478.957029602388,
            "kind": "ideal_mixing"
          },
          "hermite": [
            [
              -0.31019777252638814,
              0.3102956604592117,
              0.009064928149599916,
              -0.009162816082423475
            ]
          ],
          "kind": "single_phase",
          "knots": [
            0.9999915545112477,
            1.0
          ],
          "max_abs_error": 0.001310994718522543,
          "phase": "HCP_A3",
          "x_hi": 1.0,
          "x_lo": 0.9999915545112477
        }
      ],
      "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": -42557.456774522885,
          "energy_per_atom": -42557.456774522885,
          "enthalpy": -56499.9998687955,
          "entries_at_x": 1,
          "entropy": -46.76351867943184,
          "formula": "",
          "nsites": null,
          "phase": "ZRH2_L2B",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.3333333333333355
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -42556.73961398465,
          "energy_per_atom": -42556.73961398465,
          "enthalpy": -56497.311755138646,
          "entries_at_x": 1,
          "entropy": -46.75690807027999,
          "formula": "",
          "nsites": null,
          "phase": "ZRH2_L2B",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.3333534469088263
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -40741.270271057016,
          "energy_per_atom": -40741.270271057016,
          "enthalpy": -53296.43708983957,
          "entries_at_x": 1,
          "entropy": -42.11023585035232,
          "formula": "",
          "nsites": null,
          "phase": "FCC_A1",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.3754863831687849
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -39635.43530078279,
          "energy_per_atom": -39635.43530078279,
          "enthalpy": -51633.080758368895,
          "entries_at_x": 1,
          "entropy": -40.24030004221403,
          "formula": "",
          "nsites": null,
          "phase": "FCC_A1",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.39567218409043237
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -32849.9475562344,
          "energy_per_atom": -32849.9475562344,
          "enthalpy": -42799.99988907143,
          "entries_at_x": 1,
          "entropy": -33.37263905026671,
          "formula": "",
          "nsites": null,
          "phase": "ZRH_B17",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.5
        },
        {
          "collinear": false,
          "degenerate": [],
          "energy": -0.5757055318081257,
          "energy_per_atom": -0.5757055318081257,
          "enthalpy": -0.42741368181396705,
          "entries_at_x": 1,
          "entropy": 0.0004973733020179338,
          "formula": "",
          "nsites": null,
          "phase": "HCP_A3",
          "phase_kind": "solution",
          "spacegroup_number": null,
          "spacegroup_symbol": "",
          "theoretical": false,
          "x": 0.9999915545112477
        },
        {
          "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-07Uki",
    "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-07Uki.tdb",
    "source_sha256": "c0bd52c6c65b1eaed526d81a0955417a743df8a22c6201a4b02b1be28ff00af3"
  },
  "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"
}