GET /third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=1765
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=1766",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=1764",
    "results": [
        {
            "id": "mp-23070",
            "created_at": "2022-09-04T14:41:10.372010Z",
            "structure_string": "Ba2 Br2 F2\n1.0\n4.577164 0.000000 0.000000\n0.000000 4.577164 0.000000\n0.000000 0.000000 7.568592\nBa Br F\n2 2 2\ndirect\n0.000000 0.500000 0.807432 Ba\n0.500000 0.000000 0.192568 Ba\n0.500000 0.000000 0.649149 Br\n0.000000 0.500000 0.350851 Br\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Ba",
                "Br",
                "F"
            ],
            "chemical_system": "Ba-Br-F",
            "density": 4.947718750989773,
            "density_atomic": 0.03783931005119935,
            "volume": 158.56525903568436,
            "volume_molar": 15.915038492645886,
            "formula_full": "Ba2 Br2 F2",
            "formula_reduced": "BaBrF",
            "formula_anonymous": "ABC",
            "energy": -31.47734215,
            "energy_per_atom": -5.246223691666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -29.48534215,
            "band_gap": 4.8824,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0013362,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:09.508000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-6543",
            "created_at": "2022-09-04T14:39:36.234964Z",
            "structure_string": "V1 Ag1 P2 Se6\n1.0\n5.593389 3.191533 0.000000\n-5.593389 3.191533 0.000000\n0.000000 2.028823 7.401873\nV Ag P Se\n1 1 2 6\ndirect\n0.678702 0.321298 0.000000 V\n0.328613 0.671387 0.000000 Ag\n0.959588 0.952416 0.149732 P\n0.047584 0.040412 0.850268 P\n0.032021 0.377454 0.764061 Se\n0.622546 0.967979 0.235939 Se\n0.883161 0.568305 0.232308 Se\n0.431695 0.116839 0.767692 Se\n0.758895 0.709404 0.772958 Se\n0.290596 0.241105 0.227042 Se\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "V",
                "Ag",
                "P",
                "Se"
            ],
            "chemical_system": "Ag-P-Se-V",
            "density": 4.364013947088939,
            "density_atomic": 0.03784025128375338,
            "volume": 264.2688581799528,
            "volume_molar": 15.914642624441534,
            "formula_full": "V1 Ag1 P2 Se6",
            "formula_reduced": "VAg(PSe3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -49.14956224,
            "energy_per_atom": -4.914956224,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.31756224,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0019725,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:34.252000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1184520",
            "created_at": "2022-09-04T14:43:17.826259Z",
            "structure_string": "Gd1 Tm1 Cd2\n1.0\n0.000000 3.752775 3.752775\n3.752775 0.000000 3.752775\n3.752775 3.752775 0.000000\nGd Tm Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Gd",
                "Tm",
                "Cd"
            ],
            "chemical_system": "Cd-Gd-Tm",
            "density": 8.65601529047952,
            "density_atomic": 0.03784185482627805,
            "volume": 105.70306393180098,
            "volume_molar": 15.913968244014615,
            "formula_full": "Gd1 Tm1 Cd2",
            "formula_reduced": "GdTmCd2",
            "formula_anonymous": "ABC2",
            "energy": -21.67322867,
            "energy_per_atom": -5.4183071675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.67322867,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.5247826,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:10.254000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1104661",
            "created_at": "2022-09-04T14:45:39.743527Z",
            "structure_string": "Ca9 Pd6\n1.0\n6.207340 -4.505835 0.000000\n6.207340 4.505835 0.000000\n2.936607 0.000000 7.085899\nCa Pd\n9 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.794430 0.794430 0.794430 Ca\n0.205570 0.205570 0.205570 Ca\n0.331969 0.607476 0.840196 Ca\n0.840196 0.331969 0.607476 Ca\n0.607475 0.840196 0.331969 Ca\n0.668031 0.392524 0.159804 Ca\n0.159804 0.668031 0.392524 Ca\n0.392524 0.159804 0.668031 Ca\n0.153298 0.957749 0.588662 Pd\n0.588662 0.153298 0.957749 Pd\n0.957749 0.588662 0.153298 Pd\n0.846702 0.042251 0.411338 Pd\n0.411338 0.846702 0.042251 Pd\n0.042251 0.411338 0.846702 Pd\n",
            "nsites": 15,
            "nelements": 2,
            "elements": [
                "Ca",
                "Pd"
            ],
            "chemical_system": "Ca-Pd",
            "density": 4.186058692276082,
            "density_atomic": 0.03784299387406371,
            "volume": 396.37455878670545,
            "volume_molar": 15.9134892446429,
            "formula_full": "Ca9 Pd6",
            "formula_reduced": "Ca3Pd2",
            "formula_anonymous": "A2B3",
            "energy": -58.73777215,
            "energy_per_atom": -3.9158514766666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -58.73777215,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011151,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:07.105000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1220000",
            "created_at": "2022-09-04T14:40:05.766818Z",
            "structure_string": "Pr2 Cu1 Sn4\n1.0\n0.000000 0.000000 4.522939\n4.587132 0.000000 0.000000\n2.293566 8.915567 0.000000\nPr Cu Sn\n2 1 4\ndirect\n0.250000 0.897452 0.205095 Pr\n0.750000 0.102811 0.794377 Pr\n0.250000 0.681026 0.637949 Cu\n0.250000 0.259683 0.480635 Sn\n0.750000 0.759217 0.481565 Sn\n0.250000 0.539386 0.921227 Sn\n0.750000 0.433424 0.133152 Sn\n",
            "nsites": 7,
            "nelements": 3,
            "elements": [
                "Pr",
                "Cu",
                "Sn"
            ],
            "chemical_system": "Cu-Pr-Sn",
            "density": 7.36306466355856,
            "density_atomic": 0.03784313471702447,
            "volume": 184.9741056691827,
            "volume_molar": 15.913430018499032,
            "formula_full": "Pr2 Cu1 Sn4",
            "formula_reduced": "Pr2CuSn4",
            "formula_anonymous": "AB2C4",
            "energy": -33.66113601,
            "energy_per_atom": -4.808733715714285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.66113601,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006472,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:48.970000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-11447",
            "created_at": "2022-09-04T14:45:42.028539Z",
            "structure_string": "U1 Te1\n1.0\n3.752686 0.000000 0.000000\n0.000000 3.752686 0.000000\n0.000000 0.000000 3.752686\nU Te\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Te\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "U",
                "Te"
            ],
            "chemical_system": "Te-U",
            "density": 11.488489829475931,
            "density_atomic": 0.03784454730171168,
            "volume": 52.84777180858341,
            "volume_molar": 15.912836034182451,
            "formula_full": "U1 Te1",
            "formula_reduced": "UTe",
            "formula_anonymous": "AB",
            "energy": -15.73917756,
            "energy_per_atom": -7.86958878,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.31717756,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.6789435,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:12.035000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-10647",
            "created_at": "2022-09-04T14:45:25.663130Z",
            "structure_string": "Tl1 Se1\n1.0\n3.752654 0.000000 0.000000\n0.000000 3.752654 0.000000\n0.000000 0.000000 3.752654\nTl Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Se\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Tl",
                "Se"
            ],
            "chemical_system": "Se-Tl",
            "density": 8.903207065469894,
            "density_atomic": 0.03784551544519663,
            "volume": 52.84641988549903,
            "volume_molar": 15.91242896062691,
            "formula_full": "Tl1 Se1",
            "formula_reduced": "TlSe",
            "formula_anonymous": "AB",
            "energy": -6.4884395900000005,
            "energy_per_atom": -3.2442197950000002,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -6.01643959,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000379,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:00.607000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1232172",
            "created_at": "2022-09-04T14:46:32.272600Z",
            "structure_string": "Ho6 Mg6 Se18\n1.0\n6.890471 0.000000 0.000000\n-3.445235 5.967323 0.000000\n0.000000 0.000000 19.278401\nHo Mg Se\n6 6 18\ndirect\n0.000000 0.000000 0.344807 Ho\n0.000000 0.000000 0.655193 Ho\n0.666667 0.333333 0.678140 Ho\n0.666667 0.333333 0.988526 Ho\n0.333333 0.666667 0.011474 Ho\n0.333333 0.666667 0.321860 Ho\n0.000000 0.000000 0.159788 Mg\n0.000000 0.000000 0.840212 Mg\n0.666667 0.333333 0.493121 Mg\n0.666667 0.333333 0.173545 Mg\n0.333333 0.666667 0.826455 Mg\n0.333333 0.666667 0.506879 Mg\n0.990018 0.349298 0.582277 Se\n0.009982 0.650702 0.417723 Se\n0.650702 0.640719 0.582277 Se\n0.349298 0.359281 0.417723 Se\n0.359281 0.009982 0.582277 Se\n0.640719 0.990018 0.417723 Se\n0.656685 0.682631 0.915610 Se\n0.676649 0.984035 0.751056 Se\n0.317369 0.974052 0.915610 Se\n0.015965 0.692613 0.751056 Se\n0.025947 0.343315 0.915610 Se\n0.307387 0.323351 0.751056 Se\n0.323351 0.015965 0.248944 Se\n0.343315 0.317369 0.084390 Se\n0.984035 0.307387 0.248944 Se\n0.682631 0.025947 0.084390 Se\n0.692613 0.676649 0.248944 Se\n0.974052 0.656685 0.084390 Se\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Ho",
                "Mg",
                "Se"
            ],
            "chemical_system": "Ho-Mg-Se",
            "density": 5.35584539062991,
            "density_atomic": 0.03784615728239561,
            "volume": 792.6828548576237,
            "volume_molar": 15.912159099970866,
            "formula_full": "Ho6 Mg6 Se18",
            "formula_reduced": "HoMgSe3",
            "formula_anonymous": "ABC3",
            "energy": -145.29724252,
            "energy_per_atom": -4.843241417333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -136.80124252,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.436045,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:36.214000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-980949",
            "created_at": "2022-09-04T14:42:59.353535Z",
            "structure_string": "W2 Cl8\n1.0\n3.259891 6.291809 0.000000\n-3.259891 6.291809 0.000000\n0.000000 5.567899 6.441063\nW Cl\n2 8\ndirect\n0.795304 0.204696 0.000000 W\n0.204696 0.795304 0.000000 W\n0.671781 0.671781 0.850903 Cl\n0.205818 0.205818 0.821417 Cl\n0.784527 0.258472 0.710115 Cl\n0.258472 0.784527 0.710115 Cl\n0.741528 0.215473 0.289885 Cl\n0.215473 0.741528 0.289885 Cl\n0.794182 0.794182 0.178583 Cl\n0.328219 0.328219 0.149097 Cl\n",
            "nsites": 10,
            "nelements": 2,
            "elements": [
                "W",
                "Cl"
            ],
            "chemical_system": "Cl-W",
            "density": 4.093235112859161,
            "density_atomic": 0.03784720809626669,
            "volume": 264.22028210282747,
            "volume_molar": 15.911717304701357,
            "formula_full": "W2 Cl8",
            "formula_reduced": "WCl4",
            "formula_anonymous": "AB4",
            "energy": -53.89508995,
            "energy_per_atom": -5.389508995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.98308995,
            "band_gap": 0.2649999999999997,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008528,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:06.730000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1021297",
            "created_at": "2022-09-04T14:44:59.301190Z",
            "structure_string": "K2 Mg12 Sb2\n1.0\n5.171259 0.000000 0.000000\n0.000000 6.903592 0.000000\n0.000000 0.000000 11.841642\nK Mg Sb\n2 12 2\ndirect\n0.000000 0.500000 0.328949 K\n0.000000 0.000000 0.828949 K\n0.000000 0.252266 0.079406 Mg\n0.000000 0.747734 0.079406 Mg\n0.000000 0.500000 0.841280 Mg\n0.500000 0.274061 0.926244 Mg\n0.500000 0.725939 0.926244 Mg\n0.500000 0.500000 0.667940 Mg\n0.000000 0.752266 0.579406 Mg\n0.000000 0.247734 0.579406 Mg\n0.000000 0.000000 0.341280 Mg\n0.500000 0.774061 0.426244 Mg\n0.500000 0.225939 0.426244 Mg\n0.500000 0.000000 0.167940 Mg\n0.500000 0.500000 0.150530 Sb\n0.500000 0.000000 0.650530 Sb\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "K",
                "Mg",
                "Sb"
            ],
            "chemical_system": "K-Mg-Sb",
            "density": 2.4093115774310463,
            "density_atomic": 0.03784745217604056,
            "volume": 422.74972501659823,
            "volume_molar": 15.911614689382798,
            "formula_full": "K2 Mg12 Sb2",
            "formula_reduced": "KMg6Sb",
            "formula_anonymous": "ABC6",
            "energy": -29.10968655,
            "energy_per_atom": -1.819355409375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -28.72568655,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.003725,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:45.211000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-20351",
            "created_at": "2022-09-04T14:47:30.023938Z",
            "structure_string": "In1 P1\n1.0\n0.000000 2.978363 2.978363\n2.978363 0.000000 2.978363\n2.978363 2.978363 0.000000\nIn P\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 P\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "In",
                "P"
            ],
            "chemical_system": "In-P",
            "density": 4.5816214404051765,
            "density_atomic": 0.03785010737806824,
            "volume": 52.840008616696146,
            "volume_molar": 15.910498482467856,
            "formula_full": "In1 P1",
            "formula_reduced": "InP",
            "formula_anonymous": "AB",
            "energy": -8.57657251,
            "energy_per_atom": -4.288286255,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.57657251,
            "band_gap": 0.4546000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0003057,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:14.930000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1180842",
            "created_at": "2022-09-04T14:39:16.734615Z",
            "structure_string": "K1 Cu3 Ge1 Se4\n1.0\n6.195237 0.000000 0.000000\n0.000000 6.195237 0.000000\n0.000000 0.000000 6.195237\nK Cu Ge Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Ge\n0.218589 0.218589 0.218589 Se\n0.781411 0.781411 0.218589 Se\n0.218589 0.781411 0.781411 Se\n0.781411 0.218589 0.781411 Se\n",
            "nsites": 9,
            "nelements": 4,
            "elements": [
                "K",
                "Cu",
                "Ge",
                "Se"
            ],
            "chemical_system": "Cu-Ge-K-Se",
            "density": 4.317335250483607,
            "density_atomic": 0.03785024842592526,
            "volume": 237.77915269468912,
            "volume_molar": 15.910439192455012,
            "formula_full": "K1 Cu3 Ge1 Se4",
            "formula_reduced": "KCu3GeSe4",
            "formula_anonymous": "ABC3D4",
            "energy": -35.96455305,
            "energy_per_atom": -3.99606145,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.07655305,
            "band_gap": 0.9037,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000791,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:30.034000Z",
            "spacegroup": 215
        }
    ]
}