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

{
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        {
            "id": "mp-561329",
            "created_at": "2022-09-04T14:39:05.162583Z",
            "structure_string": "Se8 S16 N16 Cl16\n1.0\n9.656676 0.000000 0.000000\n0.000000 10.757553 0.000000\n0.000000 3.554566 13.724153\nSe S N Cl\n8 16 16 16\ndirect\n0.810781 0.355349 0.549457 Se\n0.689219 0.355349 0.049457 Se\n0.189219 0.644651 0.450543 Se\n0.780839 0.956374 0.499214 Se\n0.719161 0.956374 0.999214 Se\n0.280839 0.043626 0.000786 Se\n0.219161 0.043626 0.500786 Se\n0.310781 0.644651 0.950543 Se\n0.368467 0.185485 0.327720 S\n0.868467 0.814515 0.172280 S\n0.927599 0.444960 0.141172 S\n0.718545 0.215201 0.689706 S\n0.630754 0.756802 0.081727 S\n0.281455 0.784799 0.310294 S\n0.369246 0.243198 0.918273 S\n0.572401 0.444960 0.641172 S\n0.869246 0.756802 0.581727 S\n0.781455 0.215201 0.189706 S\n0.072401 0.555040 0.858828 S\n0.631533 0.814515 0.672280 S\n0.218545 0.784799 0.810294 S\n0.427599 0.555040 0.358828 S\n0.131533 0.185485 0.827720 S\n0.130754 0.243198 0.418273 S\n0.145847 0.057511 0.911173 N\n0.247080 0.280403 0.334578 N\n0.682734 0.475405 0.555673 N\n0.854153 0.942489 0.088827 N\n0.182734 0.524595 0.944327 N\n0.252920 0.280403 0.834578 N\n0.596432 0.307422 0.709101 N\n0.354153 0.057511 0.411173 N\n0.817266 0.475405 0.055673 N\n0.645847 0.942489 0.588827 N\n0.903568 0.307422 0.209101 N\n0.317266 0.524595 0.444327 N\n0.096432 0.692578 0.790899 N\n0.403568 0.692578 0.290899 N\n0.747080 0.719597 0.165422 N\n0.752920 0.719597 0.665422 N\n0.041344 0.908857 0.402285 Cl\n0.541344 0.091143 0.097715 Cl\n0.958656 0.091143 0.597715 Cl\n0.839412 0.891911 0.877285 Cl\n0.176430 0.731695 0.068322 Cl\n0.458656 0.908857 0.902285 Cl\n0.160588 0.108089 0.122715 Cl\n0.676430 0.268305 0.431678 Cl\n0.007311 0.554933 0.361092 Cl\n0.339412 0.108089 0.622715 Cl\n0.660588 0.891911 0.377285 Cl\n0.492689 0.554933 0.861092 Cl\n0.507311 0.445067 0.138908 Cl\n0.992689 0.445067 0.638908 Cl\n0.323570 0.731695 0.568322 Cl\n0.823570 0.268305 0.931678 Cl\n",
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            "spacegroup": 14
        },
        {
            "id": "mp-63",
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        {
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C\n0.794588 0.688160 0.294137 C\n0.205412 0.188160 0.205863 C\n0.619084 0.404109 0.631572 C\n0.380916 0.904109 0.868428 C\n0.380916 0.595891 0.368428 C\n0.619084 0.095891 0.131572 C\n0.532041 0.385587 0.735897 C\n0.467959 0.885587 0.764103 C\n0.467959 0.614413 0.264103 C\n0.532041 0.114413 0.235897 C\n0.764295 0.310850 0.704275 C\n0.235705 0.810851 0.795725 C\n0.235705 0.689149 0.295725 C\n0.764295 0.189149 0.204275 C\n0.743411 0.731513 0.066836 C\n0.256589 0.231513 0.433164 C\n0.256589 0.268487 0.933164 C\n0.743411 0.768487 0.566836 C\n0.776723 0.894225 0.053284 C\n0.223277 0.394225 0.446716 C\n0.223277 0.105775 0.946716 C\n0.776723 0.605775 0.553284 C\n0.893256 0.790089 0.979703 C\n0.106744 0.290089 0.520297 C\n0.106744 0.209911 0.020297 C\n0.893256 0.709911 0.479703 C\n0.251816 0.629159 0.115465 C\n0.748184 0.129159 0.384535 C\n0.748184 0.370841 0.884535 C\n0.251816 0.870841 0.615465 C\n0.050610 0.612058 0.039547 C\n0.949390 0.112058 0.460453 C\n0.949390 0.387942 0.960453 C\n0.050610 0.887942 0.539547 C\n0.989201 0.607582 0.148275 C\n0.010799 0.107582 0.351725 C\n0.010799 0.392418 0.851725 C\n0.989201 0.892418 0.648275 C\n0.283852 0.089197 0.554377 Cl\n0.716148 0.589197 0.945623 Cl\n0.716148 0.910803 0.445623 Cl\n0.283852 0.410803 0.054377 Cl\n0.973828 0.012338 0.139257 Cl\n0.026172 0.512338 0.360743 Cl\n0.026172 0.987662 0.860743 Cl\n0.973828 0.487662 0.639257 Cl\n",
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            "elements": [
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            "density": 1.485688866768228,
            "density_atomic": 0.06933784193959255,
            "volume": 4384.330280495984,
            "volume_molar": 8.685215160354307,
            "formula_full": "B64 P16 H144 Ir8 C64 Cl8",
            "formula_reduced": "B8P2H18IrC8Cl",
            "formula_anonymous": "ABC2D8E8F18",
            "energy": -1625.61263646,
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            "spacegroup": 14
        },
        {
            "id": "mp-1077082",
            "created_at": "2022-09-04T14:39:05.148302Z",
            "structure_string": "Tb1 Cd1 Ni4\n1.0\n0.000000 3.516912 3.516912\n3.516912 0.000000 3.516912\n3.516912 3.516912 0.000000\nTb Cd Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Tb\n0.000000 0.000000 0.000000 Cd\n0.625978 0.625978 0.122065 Ni\n0.625978 0.122065 0.625978 Ni\n0.122065 0.625978 0.625978 Ni\n0.625978 0.625978 0.625978 Ni\n",
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            "volume": 86.99904800482052,
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            "formula_full": "Tb1 Cd1 Ni4",
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            "created_at": "2022-09-04T14:39:05.129790Z",
            "structure_string": "Ir2 F6\n1.0\n4.925030 -2.515101 0.000000\n4.925030 2.515101 0.000000\n3.640625 0.000000 4.162632\nIr F\n2 6\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.410569 0.089431 0.750000 F\n0.589431 0.910569 0.250000 F\n0.750000 0.410569 0.089431 F\n0.089431 0.750000 0.410569 F\n0.910569 0.250000 0.589431 F\n0.250000 0.589431 0.910569 F\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Ir",
                "F"
            ],
            "chemical_system": "F-Ir",
            "density": 8.025758447827224,
            "density_atomic": 0.07757605002235374,
            "volume": 103.12461123883956,
            "volume_molar": 7.762886558757123,
            "formula_full": "Ir2 F6",
            "formula_reduced": "IrF3",
            "formula_anonymous": "AB3",
            "energy": -42.02506336,
            "energy_per_atom": -5.25313292,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.25306336,
            "band_gap": 1.1410999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000121,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:43.841000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-7118",
            "created_at": "2022-09-04T14:39:05.208113Z",
            "structure_string": "Rb8 Sn2 O8\n1.0\n6.910742 0.000000 0.000000\n2.755021 6.344170 0.000000\n1.852337 2.717859 9.743654\nRb Sn O\n8 2 8\ndirect\n0.745559 0.595075 0.163807 Rb\n0.254441 0.404925 0.836193 Rb\n0.758005 0.236404 0.973438 Rb\n0.241995 0.763596 0.026562 Rb\n0.273065 0.511156 0.439718 Rb\n0.726935 0.488844 0.560282 Rb\n0.778973 0.039301 0.382159 Rb\n0.221027 0.960699 0.617841 Rb\n0.726135 0.844649 0.752783 Sn\n0.273865 0.155351 0.247217 Sn\n0.870202 0.840382 0.905992 O\n0.129798 0.159618 0.094008 O\n0.039441 0.297451 0.373915 O\n0.960559 0.702549 0.626085 O\n0.456964 0.336044 0.189508 O\n0.543036 0.663956 0.810492 O\n0.450780 0.852174 0.350363 O\n0.549220 0.147826 0.649637 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Rb",
                "Sn",
                "O"
            ],
            "chemical_system": "O-Rb-Sn",
            "density": 4.078199651427183,
            "density_atomic": 0.042135791841165136,
            "volume": 427.19026303938244,
            "volume_molar": 14.292221640692146,
            "formula_full": "Rb8 Sn2 O8",
            "formula_reduced": "Rb4SnO4",
            "formula_anonymous": "AB4C4",
            "energy": -87.32086235999999,
            "energy_per_atom": -4.85115902,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -81.82486236,
            "band_gap": 2.1626,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001713,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:41.496000Z",
            "spacegroup": 2
        }
    ]
}