GET /third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=10167
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

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            "created_at": "2022-09-04T14:42:40.164072Z",
            "structure_string": "Ti2 Zn2 Mo2 P6 O24\n1.0\n8.684908 -0.176871 -0.123345\n4.436123 7.468583 -0.123345\n4.436123 2.465274 7.051055\nTi Zn Mo P O\n2 2 2 6 24\ndirect\n0.146222 0.146222 0.146222 Ti\n0.646222 0.646222 0.646222 Ti\n0.001135 0.001135 0.001135 Zn\n0.501135 0.501135 0.501135 Zn\n0.357737 0.357737 0.357737 Mo\n0.857737 0.857737 0.857737 Mo\n0.043017 0.449882 0.756862 P\n0.449882 0.756862 0.043017 P\n0.756862 0.043017 0.449882 P\n0.256862 0.949882 0.543017 P\n0.543017 0.256862 0.949882 P\n0.949882 0.543017 0.256862 P\n0.096586 0.504238 0.326665 O\n0.326665 0.096586 0.504238 O\n0.052796 0.254709 0.916564 O\n0.504238 0.326665 0.096586 O\n0.004238 0.596586 0.826665 O\n0.237460 0.434172 0.600529 O\n0.254709 0.916564 0.052796 O\n0.434172 0.600529 0.237460 O\n0.190704 0.001909 0.378814 O\n0.600529 0.237460 0.434172 O\n0.100529 0.934172 0.737460 O\n0.378814 0.190704 0.001909 O\n0.596586 0.826665 0.004238 O\n0.916564 0.052796 0.254709 O\n0.416564 0.754709 0.552796 O\n0.826665 0.004238 0.596586 O\n0.552796 0.416564 0.754709 O\n0.737460 0.100529 0.934172 O\n0.754709 0.552796 0.416564 O\n0.001909 0.378814 0.190704 O\n0.501909 0.690704 0.878814 O\n0.934172 0.737460 0.100529 O\n0.690704 0.878814 0.501909 O\n0.878814 0.501909 0.690704 O\n",
            "nsites": 36,
            "nelements": 5,
            "elements": [
                "Ti",
                "Zn",
                "Mo",
                "P",
                "O"
            ],
            "chemical_system": "Mo-O-P-Ti-Zn",
            "density": 3.503757326118193,
            "density_atomic": 0.07686278723231219,
            "volume": 468.3670901914163,
            "volume_molar": 7.834923734678678,
            "formula_full": "Ti2 Zn2 Mo2 P6 O24",
            "formula_reduced": "TiZnMo(PO4)3",
            "formula_anonymous": "ABCD3E12",
            "energy": -286.13549727,
            "energy_per_atom": -7.948208257499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -263.24349727,
            "band_gap": 1.0987,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 6.0000515,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:05.848000Z",
            "spacegroup": 161
        },
        {
            "id": "mp-328",
            "created_at": "2022-09-04T14:44:26.994264Z",
            "structure_string": "Zr4 Ni2\n1.0\n-3.253249 3.253249 2.631285\n3.253249 -3.253249 2.631285\n3.253249 3.253249 -2.631285\nZr Ni\n4 2\ndirect\n0.163060 0.663060 0.826120 Zr\n0.836940 0.336940 0.173880 Zr\n0.336940 0.163060 0.500000 Zr\n0.663060 0.836940 0.500000 Zr\n0.250000 0.250000 0.000000 Ni\n0.750000 0.750000 0.000000 Ni\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Zr",
                "Ni"
            ],
            "chemical_system": "Ni-Zr",
            "density": 7.189329355994663,
            "density_atomic": 0.05386277930719722,
            "volume": 111.39417752247834,
            "volume_molar": 11.180523614746544,
            "formula_full": "Zr4 Ni2",
            "formula_reduced": "Zr2Ni",
            "formula_anonymous": "AB2",
            "energy": -47.68946569,
            "energy_per_atom": -7.948244281666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.68946569,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0026941,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:40.618000Z",
            "spacegroup": 140
        }
    ]
}