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=-id&page=12169",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12167",
"results": [
{
"id": "mp-1007660",
"created_at": "2022-09-04T14:45:52.835205Z",
"structure_string": "Ir2 N2\n1.0\n2.743726 0.000000 0.000000\n0.000000 2.743726 0.000000\n0.000000 0.000000 6.047982\nIr N\n2 2\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.750000 N\n0.000000 0.000000 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 15.042696741612849,
"density_atomic": 0.08785531170209013,
"volume": 45.52940422730112,
"volume_molar": 6.854612024393659,
"formula_full": "Ir2 N2",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
"energy": -32.91710161,
"energy_per_atom": -8.2292754025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.19510161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.864000Z",
"spacegroup": 131
},
{
"id": "mp-1007657",
"created_at": "2022-09-04T14:41:50.892650Z",
"structure_string": "Hf1 Ru3\n1.0\n3.955773 0.000000 0.000000\n0.000000 3.955773 0.000000\n0.000000 0.000000 3.955773\nHf Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Ru"
],
"chemical_system": "Hf-Ru",
"density": 12.922057170997144,
"density_atomic": 0.06461984406842815,
"volume": 61.900489821118484,
"volume_molar": 9.31933657039307,
"formula_full": "Hf1 Ru3",
"formula_reduced": "HfRu3",
"formula_anonymous": "AB3",
"energy": -38.67770159,
"energy_per_atom": -9.6694253975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.67770159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1270146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.583000Z",
"spacegroup": 221
},
{
"id": "mp-1007656",
"created_at": "2022-09-04T14:39:43.896546Z",
"structure_string": "Hf1 Pd3\n1.0\n4.017255 0.000000 0.000000\n0.000000 4.017255 0.000000\n0.000000 0.000000 4.017255\nHf Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Pd"
],
"chemical_system": "Hf-Pd",
"density": 12.748883903567231,
"density_atomic": 0.061698100192234755,
"volume": 64.83181795771785,
"volume_molar": 9.760658336701814,
"formula_full": "Hf1 Pd3",
"formula_reduced": "HfPd3",
"formula_anonymous": "AB3",
"energy": -28.97274411,
"energy_per_atom": -7.2431860275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.97274411,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.102000Z",
"spacegroup": 221
},
{
"id": "mp-1007652",
"created_at": "2022-09-04T14:41:03.739770Z",
"structure_string": "In2 As2\n1.0\n2.184531 -3.783719 0.000000\n2.184531 3.783719 0.000000\n0.000000 0.000000 7.163801\nIn As\n2 2\ndirect\n0.666667 0.333333 0.500114 In\n0.333333 0.666667 0.000114 In\n0.666667 0.333333 0.875386 As\n0.333333 0.666667 0.375386 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"As"
],
"chemical_system": "As-In",
"density": 5.320916908680534,
"density_atomic": 0.03377609166184784,
"volume": 118.42696425762738,
"volume_molar": 17.829596213473025,
"formula_full": "In2 As2",
"formula_reduced": "InAs",
"formula_anonymous": "AB",
"energy": -15.71115815,
"energy_per_atom": -3.9277895375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.71115815,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.198000Z",
"spacegroup": 186
},
{
"id": "mp-1007637",
"created_at": "2022-09-04T14:45:31.250131Z",
"structure_string": "K1 Na1 H2\n1.0\n3.783233 0.000000 0.000000\n0.000000 3.783233 0.000000\n0.000000 0.000000 5.337670\nK Na H\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"H"
],
"chemical_system": "H-K-Na",
"density": 1.393336406511905,
"density_atomic": 0.052357884736844884,
"volume": 76.39728037342103,
"volume_molar": 11.50187940224817,
"formula_full": "K1 Na1 H2",
"formula_reduced": "KNaH2",
"formula_anonymous": "ABC2",
"energy": -10.1018871,
"energy_per_atom": -2.525471775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.7438871,
"band_gap": 2.8277,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002689,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.980000Z",
"spacegroup": 123
},
{
"id": "mp-1007636",
"created_at": "2022-09-04T14:42:29.580174Z",
"structure_string": "K1 Lu1 S2\n1.0\n7.427248 -1.985492 0.000000\n7.427248 1.985492 0.000000\n6.896475 0.000000 3.397767\nK Lu S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Lu\n0.767179 0.767179 0.767179 S\n0.232821 0.232821 0.232821 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Lu",
"S"
],
"chemical_system": "K-Lu-S",
"density": 4.609769702579187,
"density_atomic": 0.03991538610423497,
"volume": 100.21198315743224,
"volume_molar": 15.087266710320156,
"formula_full": "K1 Lu1 S2",
"formula_reduced": "KLuS2",
"formula_anonymous": "ABC2",
"energy": -22.4008406,
"energy_per_atom": -5.60021015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.3948406,
"band_gap": 2.4307,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.623000Z",
"spacegroup": 166
},
{
"id": "mp-10076",
"created_at": "2022-09-04T14:45:07.403343Z",
"structure_string": "Hf3 Ni4 Ge4\n1.0\n-1.958831 3.261476 6.453835\n1.958831 -3.261476 6.453835\n1.958831 3.261476 -6.453835\nHf Ni Ge\n3 4 4\ndirect\n0.127346 0.627346 0.500000 Hf\n0.872654 0.372654 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.122744 0.822862 0.299882 Ni\n0.877256 0.177138 0.700118 Ni\n0.522980 0.822862 0.700118 Ni\n0.477020 0.177138 0.299882 Ni\n0.713366 0.713366 0.000000 Ge\n0.200317 0.000000 0.200317 Ge\n0.799683 0.000000 0.799683 Ge\n0.286634 0.286634 0.000000 Ge\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"Ge"
],
"chemical_system": "Ge-Hf-Ni",
"density": 10.68058590867835,
"density_atomic": 0.06669659769246378,
"volume": 164.92595395526328,
"volume_molar": 9.029157360871583,
"formula_full": "Hf3 Ni4 Ge4",
"formula_reduced": "Hf3(NiGe)4",
"formula_anonymous": "A3B4C4",
"energy": -78.82687495,
"energy_per_atom": -7.166079540909092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.82687495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028509,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.502000Z",
"spacegroup": 71
},
{
"id": "mp-10074",
"created_at": "2022-09-04T14:42:50.783116Z",
"structure_string": "Ge2 Se4\n1.0\n-3.035317 3.035317 4.825271\n3.035317 -3.035317 4.825271\n3.035317 3.035317 -4.825271\nGe Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.375000 0.358921 0.483921 Se\n0.641079 0.125000 0.016079 Se\n0.108921 0.625000 0.983921 Se\n0.875000 0.891079 0.516079 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ge",
"Se"
],
"chemical_system": "Ge-Se",
"density": 4.305992283547147,
"density_atomic": 0.03374127123346121,
"volume": 177.8237683602686,
"volume_molar": 17.847996058986197,
"formula_full": "Ge2 Se4",
"formula_reduced": "GeSe2",
"formula_anonymous": "AB2",
"energy": -26.63067358,
"energy_per_atom": -4.438445596666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.74267358,
"band_gap": 1.5781999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.254000Z",
"spacegroup": 122
},
{
"id": "mp-10070",
"created_at": "2022-09-04T14:41:35.806831Z",
"structure_string": "Ba4 Ag4 P12 O36\n1.0\n6.072151 0.000000 0.000000\n0.000000 11.309948 0.000000\n0.000000 0.000000 12.471077\nBa Ag P O\n4 4 12 36\ndirect\n0.097612 0.108750 0.080768 Ba\n0.597612 0.391250 0.919232 Ba\n0.902388 0.608750 0.419232 Ba\n0.402388 0.891250 0.580768 Ba\n0.103113 0.483329 0.133580 Ag\n0.603113 0.016671 0.866420 Ag\n0.896887 0.983329 0.366420 Ag\n0.396887 0.516671 0.633580 Ag\n0.110475 0.847100 0.856291 P\n0.610475 0.652900 0.143709 P\n0.889525 0.347100 0.643709 P\n0.389525 0.152900 0.356291 P\n0.913490 0.707283 0.685646 P\n0.413490 0.792717 0.314354 P\n0.086510 0.207283 0.814354 P\n0.586510 0.292717 0.185646 P\n0.108666 0.587538 0.868306 P\n0.608666 0.912462 0.131694 P\n0.891334 0.087538 0.631694 P\n0.391334 0.412462 0.368306 P\n0.013579 0.935468 0.931694 O\n0.513579 0.564532 0.068306 O\n0.986421 0.435468 0.568306 O\n0.486421 0.064532 0.431694 O\n0.325935 0.870384 0.800823 O\n0.825935 0.629616 0.199177 O\n0.674065 0.370384 0.699177 O\n0.174065 0.129616 0.300823 O\n0.694184 0.704015 0.630284 O\n0.194184 0.795985 0.369716 O\n0.305816 0.204015 0.869716 O\n0.805816 0.295985 0.130284 O\n0.113325 0.703715 0.613118 O\n0.613325 0.796285 0.386882 O\n0.886675 0.203715 0.886882 O\n0.386675 0.296285 0.113118 O\n0.327269 0.552894 0.821143 O\n0.827269 0.947106 0.178857 O\n0.672731 0.052894 0.678857 O\n0.172731 0.447106 0.321143 O\n0.383737 0.280472 0.417517 O\n0.883737 0.219528 0.582483 O\n0.616263 0.780472 0.082483 O\n0.116263 0.719528 0.917517 O\n0.576844 0.178227 0.263360 O\n0.076844 0.321773 0.736640 O\n0.423156 0.678227 0.236640 O\n0.923156 0.821773 0.763360 O\n0.575028 0.398636 0.273252 O\n0.075028 0.101364 0.726748 O\n0.424972 0.898636 0.226748 O\n0.924972 0.601364 0.773252 O\n0.494850 0.494254 0.449177 O\n0.994850 0.005746 0.550823 O\n0.505150 0.994254 0.050823 O\n0.005150 0.505746 0.949177 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"P",
"O"
],
"chemical_system": "Ag-Ba-O-P",
"density": 3.7389449861685162,
"density_atomic": 0.06538541661275545,
"volume": 856.4600931069921,
"volume_molar": 9.21022006430895,
"formula_full": "Ba4 Ag4 P12 O36",
"formula_reduced": "BaAg(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -409.1658424900001,
"energy_per_atom": -7.306532901607144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -384.43384249,
"band_gap": 3.3851000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002389,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.360000Z",
"spacegroup": 19
},
{
"id": "mp-1007",
"created_at": "2022-09-04T14:42:12.699770Z",
"structure_string": "Dy1 Sb1\n1.0\n0.000000 3.102107 3.102107\n3.102107 0.000000 3.102107\n3.102107 3.102107 0.000000\nDy Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Sb"
],
"chemical_system": "Dy-Sb",
"density": 7.906140580533158,
"density_atomic": 0.03349883308293285,
"volume": 59.70357221245925,
"volume_molar": 17.97716578691271,
"formula_full": "Dy1 Sb1",
"formula_reduced": "DySb",
"formula_anonymous": "AB",
"energy": -11.1765017,
"energy_per_atom": -5.58825085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.9845017,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003461,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.121000Z",
"spacegroup": 225
},
{
"id": "mp-10069",
"created_at": "2022-09-04T14:44:02.552621Z",
"structure_string": "Ce1 P12 Ru4\n1.0\n-4.045453 4.045453 4.045453\n4.045453 -4.045453 4.045453\n4.045453 4.045453 -4.045453\nCe P Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.856321 0.644025 0.500346 P\n0.856321 0.355975 0.212296 P\n0.143679 0.644025 0.787704 P\n0.355975 0.499654 0.143679 P\n0.499654 0.143679 0.355975 P\n0.143679 0.355975 0.499654 P\n0.644025 0.787704 0.143679 P\n0.212296 0.856321 0.355975 P\n0.644025 0.500346 0.856321 P\n0.787704 0.143679 0.644025 P\n0.355975 0.212296 0.856321 P\n0.500346 0.856321 0.644025 P\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ce",
"P",
"Ru"
],
"chemical_system": "Ce-P-Ru",
"density": 5.74409442381723,
"density_atomic": 0.06419296715766856,
"volume": 264.82651842911673,
"volume_molar": 9.381309240946322,
"formula_full": "Ce1 P12 Ru4",
"formula_reduced": "Ce(P3Ru)4",
"formula_anonymous": "AB4C12",
"energy": -119.62071659,
"energy_per_atom": -7.036512740588235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.62071659,
"band_gap": 0.1915000000000013,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0037259,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.918000Z",
"spacegroup": 204
},
{
"id": "mp-1006891",
"created_at": "2022-09-04T14:43:08.359798Z",
"structure_string": "K1 Sm1 Se2\n1.0\n7.773198 -2.153935 0.000000\n7.773198 2.153935 0.000000\n7.176347 0.000000 3.682673\nK Sm Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Sm\n0.763549 0.763549 0.763549 Se\n0.236451 0.236451 0.236451 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Sm",
"Se"
],
"chemical_system": "K-Se-Sm",
"density": 4.677634736845011,
"density_atomic": 0.03243653943712771,
"volume": 123.31771728464646,
"volume_molar": 18.565916292250648,
"formula_full": "K1 Sm1 Se2",
"formula_reduced": "KSmSe2",
"formula_anonymous": "ABC2",
"energy": -20.76311431,
"energy_per_atom": -5.1907785775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.81911431,
"band_gap": 1.9728,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003207,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.409000Z",
"spacegroup": 166
}
]
}