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=-volume&page=11543",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11541",
"results": [
{
"id": "mp-1549",
"created_at": "2022-09-04T14:48:29.020400Z",
"structure_string": "Tb1 Pt3\n1.0\n4.131794 0.000000 0.000000\n0.000000 4.131794 0.000000\n0.000000 0.000000 4.131794\nTb Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Pt"
],
"chemical_system": "Pt-Tb",
"density": 17.51901010370921,
"density_atomic": 0.05670795804621481,
"volume": 70.53683711799592,
"volume_molar": 10.619569047244104,
"formula_full": "Tb1 Pt3",
"formula_reduced": "TbPt3",
"formula_anonymous": "AB3",
"energy": -26.79824234,
"energy_per_atom": -6.699560585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.79824234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0147769,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:41.803000Z",
"spacegroup": 221
},
{
"id": "mp-974437",
"created_at": "2022-09-04T14:44:26.017655Z",
"structure_string": "Re4 C2\n1.0\n1.433013 -2.482051 0.000000\n1.433013 2.482051 0.000000\n0.000000 0.000000 9.915113\nRe C\n4 2\ndirect\n0.333333 0.666667 0.608386 Re\n0.666667 0.333333 0.108386 Re\n0.666667 0.333333 0.391614 Re\n0.333333 0.666667 0.891614 Re\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 18.10097140478265,
"density_atomic": 0.08506732090576366,
"volume": 70.53237290318232,
"volume_molar": 7.079264629329563,
"formula_full": "Re4 C2",
"formula_reduced": "Re2C",
"formula_anonymous": "AB2",
"energy": -68.41012677,
"energy_per_atom": -11.401687795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.41012677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.869000Z",
"spacegroup": 194
},
{
"id": "mp-1016260",
"created_at": "2022-09-04T14:43:03.804877Z",
"structure_string": "Mg3 Fe1\n1.0\n2.933391 0.000000 0.000000\n0.000000 4.669568 0.000000\n0.000000 0.000000 5.148822\nMg Fe\n3 1\ndirect\n0.500000 0.000000 0.663173 Mg\n0.500000 0.500000 0.320174 Mg\n0.000000 0.500000 0.857841 Mg\n0.000000 0.000000 0.158813 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Fe"
],
"chemical_system": "Fe-Mg",
"density": 3.031625337107046,
"density_atomic": 0.05671598172708999,
"volume": 70.52685818342148,
"volume_molar": 10.61806668352805,
"formula_full": "Mg3 Fe1",
"formula_reduced": "Mg3Fe",
"formula_anonymous": "AB3",
"energy": -12.22543664,
"energy_per_atom": -3.05635916,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.22543664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2339427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.488000Z",
"spacegroup": 25
},
{
"id": "mp-5878",
"created_at": "2022-09-04T14:48:23.035553Z",
"structure_string": "K1 Zn1 F3\n1.0\n4.131580 0.000000 0.000000\n0.000000 4.131580 0.000000\n0.000000 0.000000 4.131580\nK Zn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Zn",
"F"
],
"chemical_system": "F-K-Zn",
"density": 3.802593253959647,
"density_atomic": 0.0708959628336484,
"volume": 70.5258776403403,
"volume_molar": 8.494335247453318,
"formula_full": "K1 Zn1 F3",
"formula_reduced": "KZnF3",
"formula_anonymous": "ABC3",
"energy": -22.19457911,
"energy_per_atom": -4.438915822,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.80857911,
"band_gap": 3.6954,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004138,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:14.461000Z",
"spacegroup": 221
},
{
"id": "mp-625521",
"created_at": "2022-09-04T14:46:58.864653Z",
"structure_string": "H3 Br1 O1\n1.0\n2.476209 3.486419 0.000000\n-2.476209 3.486419 0.000000\n0.000000 1.714341 4.084576\nH Br O\n3 1 1\ndirect\n0.685528 0.685528 0.352441 H\n0.357325 0.692058 0.680036 H\n0.692058 0.357325 0.680036 H\n0.983913 0.983913 0.988660 Br\n0.539758 0.539758 0.536286 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 2.329276515930034,
"density_atomic": 0.0708967211084096,
"volume": 70.52512333192955,
"volume_molar": 8.494244396424799,
"formula_full": "H3 Br1 O1",
"formula_reduced": "H3BrO",
"formula_anonymous": "ABC3",
"energy": -21.91796181,
"energy_per_atom": -4.383592362,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.696961810000005,
"band_gap": 4.5929,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013726,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.912000Z",
"spacegroup": 8
},
{
"id": "mp-20486",
"created_at": "2022-09-04T14:39:48.226065Z",
"structure_string": "Pu3 Ga1\n1.0\n4.131532 0.000000 0.000000\n0.000000 4.131532 0.000000\n0.000000 0.000000 4.131532\nPu Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.500000 0.000000 0.500000 Pu\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Ga"
],
"chemical_system": "Ga-Pu",
"density": 18.87730869724272,
"density_atomic": 0.056718747090480824,
"volume": 70.523419595623,
"volume_molar": 10.6175489920346,
"formula_full": "Pu3 Ga1",
"formula_reduced": "Pu3Ga",
"formula_anonymous": "AB3",
"energy": -44.66753251,
"energy_per_atom": -11.1668831275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.66753251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.8830165,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.471000Z",
"spacegroup": 221
},
{
"id": "mp-1206413",
"created_at": "2022-09-04T14:44:30.259915Z",
"structure_string": "Yb1 Ru3 C1\n1.0\n4.131506 0.000000 0.000000\n0.000000 4.131506 0.000000\n0.000000 0.000000 4.131506\nYb Ru C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ru",
"C"
],
"chemical_system": "C-Ru-Yb",
"density": 11.49676630366291,
"density_atomic": 0.07089977238533547,
"volume": 70.5220881785817,
"volume_molar": 8.493878834011019,
"formula_full": "Yb1 Ru3 C1",
"formula_reduced": "YbRu3C",
"formula_anonymous": "ABC3",
"energy": -38.59945928,
"energy_per_atom": -7.719891855999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.59945928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024807,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.270000Z",
"spacegroup": 221
},
{
"id": "mp-865519",
"created_at": "2022-09-04T14:41:50.165342Z",
"structure_string": "Y1 Ta1 Ru2\n1.0\n0.000000 3.279119 3.279119\n3.279119 0.000000 3.279119\n3.279119 3.279119 0.000000\nY Ta Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ta\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta-Y",
"density": 11.114343077585334,
"density_atomic": 0.056722904765095755,
"volume": 70.5182503710809,
"volume_molar": 10.616770747089285,
"formula_full": "Y1 Ta1 Ru2",
"formula_reduced": "YTaRu2",
"formula_anonymous": "ABC2",
"energy": -38.217699,
"energy_per_atom": -9.55442475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.217699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.540000Z",
"spacegroup": 225
},
{
"id": "mp-1186344",
"created_at": "2022-09-04T14:48:23.586361Z",
"structure_string": "Np1 Sc1 Ru2\n1.0\n0.000000 3.279097 3.279097\n3.279097 0.000000 3.279097\n3.279097 3.279097 0.000000\nNp Sc Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Np",
"Sc",
"Ru"
],
"chemical_system": "Np-Ru-Sc",
"density": 11.39955046282779,
"density_atomic": 0.056724046462591056,
"volume": 70.5168310345765,
"volume_molar": 10.616557060983903,
"formula_full": "Np1 Sc1 Ru2",
"formula_reduced": "NpScRu2",
"formula_anonymous": "ABC2",
"energy": -38.29772999,
"energy_per_atom": -9.5744324975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.29772999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:57.679000Z",
"spacegroup": 225
},
{
"id": "mp-1016228",
"created_at": "2022-09-04T14:41:04.824983Z",
"structure_string": "Mg3 Co1\n1.0\n3.045493 0.000000 0.000000\n0.000000 4.602405 0.000000\n0.000000 0.000000 5.030919\nMg Co\n3 1\ndirect\n0.000000 0.000000 0.669959 Mg\n0.000000 0.500000 0.315360 Mg\n0.500000 0.500000 0.852429 Mg\n0.500000 0.000000 0.162251 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Co"
],
"chemical_system": "Co-Mg",
"density": 3.1047992344387216,
"density_atomic": 0.05672444140108766,
"volume": 70.51634006788655,
"volume_molar": 10.61648314422102,
"formula_full": "Mg3 Co1",
"formula_reduced": "Mg3Co",
"formula_anonymous": "AB3",
"energy": -11.05382264,
"energy_per_atom": -2.76345566,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.05382264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1102707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.083000Z",
"spacegroup": 25
},
{
"id": "mp-862838",
"created_at": "2022-09-04T14:44:10.337304Z",
"structure_string": "Pm1 Al1 Cu2\n1.0\n0.000000 3.279076 3.279076\n3.279076 0.000000 3.279076\n3.279076 3.279076 0.000000\nPm Al Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Pm",
"density": 7.042756018604815,
"density_atomic": 0.05672513629332799,
"volume": 70.51547623113389,
"volume_molar": 10.616353090558063,
"formula_full": "Pm1 Al1 Cu2",
"formula_reduced": "PmAlCu2",
"formula_anonymous": "ABC2",
"energy": -17.86597869,
"energy_per_atom": -4.4664946725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.86597869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.214000Z",
"spacegroup": 225
},
{
"id": "mp-505531",
"created_at": "2022-09-04T14:39:43.648811Z",
"structure_string": "Fe2 S2\n1.0\n3.595555 0.000000 0.000000\n0.000000 3.595555 0.000000\n0.000000 0.000000 5.454435\nFe S\n2 2\ndirect\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.222080 S\n0.000000 0.500000 0.777920 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 4.1403373626811995,
"density_atomic": 0.056725501991968845,
"volume": 70.5150216311231,
"volume_molar": 10.616284648926703,
"formula_full": "Fe2 S2",
"formula_reduced": "FeS",
"formula_anonymous": "AB",
"energy": -28.24460197,
"energy_per_atom": -7.0611504925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.23860197,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.52e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.320000Z",
"spacegroup": 129
}
]
}