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=spacegroup&page=10268",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10266",
"results": [
{
"id": "mp-1184009",
"created_at": "2022-09-04T14:42:46.348801Z",
"structure_string": "Ga2 Co6\n1.0\n2.542840 -4.404328 0.000000\n2.542840 4.404328 0.000000\n0.000000 0.000000 4.110543\nGa Co\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.165696 0.331391 0.250000 Co\n0.668609 0.834304 0.250000 Co\n0.165696 0.834304 0.250000 Co\n0.834304 0.668609 0.750000 Co\n0.331391 0.165696 0.750000 Co\n0.834304 0.165696 0.750000 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Co"
],
"chemical_system": "Co-Ga",
"density": 8.892173461654556,
"density_atomic": 0.08688846138283988,
"volume": 92.0720642612273,
"volume_molar": 6.930886638060952,
"formula_full": "Ga2 Co6",
"formula_reduced": "GaCo3",
"formula_anonymous": "AB3",
"energy": -49.42057349,
"energy_per_atom": -6.17757168625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.42057349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.6341706,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.590000Z",
"spacegroup": 194
},
{
"id": "mp-1197249",
"created_at": "2022-09-04T14:42:46.464837Z",
"structure_string": "Ho4 Fe10 Co24\n1.0\n0.000000 0.000000 -8.119414\n-4.177879 -7.231397 0.000000\n-4.177879 7.231397 0.000000\nHo Fe Co\n4 10 24\ndirect\n0.750000 0.999989 0.000011 Ho\n0.250000 0.000011 0.999989 Ho\n0.250000 0.666647 0.333353 Ho\n0.750000 0.333353 0.666647 Ho\n0.606258 0.666781 0.333219 Fe\n0.393742 0.333219 0.666781 Fe\n0.106258 0.333219 0.666781 Fe\n0.893742 0.666781 0.333219 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.750000 0.673282 0.045768 Co\n0.750000 0.372492 0.326672 Co\n0.750000 0.954242 0.627481 Co\n0.750000 0.372519 0.045758 Co\n0.750000 0.954232 0.326718 Co\n0.750000 0.673328 0.627508 Co\n0.250000 0.326718 0.954232 Co\n0.250000 0.627508 0.673328 Co\n0.250000 0.045758 0.372519 Co\n0.250000 0.627481 0.954242 Co\n0.250000 0.045768 0.673282 Co\n0.250000 0.326672 0.372492 Co\n0.482456 0.836056 0.672083 Co\n0.482606 0.836159 0.163841 Co\n0.482456 0.327917 0.163944 Co\n0.517544 0.163944 0.327917 Co\n0.517394 0.163841 0.836159 Co\n0.517544 0.672083 0.836056 Co\n0.982456 0.163944 0.327917 Co\n0.982606 0.163841 0.836159 Co\n0.982456 0.672083 0.836056 Co\n0.017544 0.836056 0.672083 Co\n0.017394 0.836159 0.163841 Co\n0.017544 0.327917 0.163944 Co\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ho",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Ho",
"density": 8.910374229680974,
"density_atomic": 0.07745524861779604,
"volume": 490.6058747227255,
"volume_molar": 7.774993777008366,
"formula_full": "Ho4 Fe10 Co24",
"formula_reduced": "Ho2Fe5Co12",
"formula_anonymous": "A2B5C12",
"energy": -277.66404709,
"energy_per_atom": -7.306948607631579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.66404709,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 59.5253248,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.001000Z",
"spacegroup": 194
},
{
"id": "mp-973675",
"created_at": "2022-09-04T14:42:46.786883Z",
"structure_string": "Hf18 As2 W8\n1.0\n4.351498 -7.537016 0.000000\n4.351498 7.537016 0.000000\n0.000000 0.000000 8.709668\nHf As W\n18 2 8\ndirect\n0.195182 0.390363 0.045961 Hf\n0.804818 0.609637 0.545961 Hf\n0.609637 0.804818 0.045961 Hf\n0.195182 0.804818 0.045961 Hf\n0.804818 0.195182 0.545961 Hf\n0.390363 0.195182 0.545961 Hf\n0.804818 0.609637 0.954039 Hf\n0.804818 0.195182 0.954039 Hf\n0.390363 0.195182 0.954039 Hf\n0.609637 0.804818 0.454039 Hf\n0.195182 0.804818 0.454039 Hf\n0.195182 0.390363 0.454039 Hf\n0.540093 0.080185 0.250000 Hf\n0.459907 0.919815 0.750000 Hf\n0.919815 0.459907 0.250000 Hf\n0.540093 0.459907 0.250000 Hf\n0.459907 0.540093 0.750000 Hf\n0.080185 0.540093 0.750000 Hf\n0.333333 0.666667 0.250000 As\n0.666667 0.333333 0.750000 As\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.889943 0.779886 0.250000 W\n0.110057 0.220114 0.750000 W\n0.220114 0.110057 0.250000 W\n0.889943 0.110057 0.250000 W\n0.110057 0.889943 0.750000 W\n0.779886 0.889943 0.750000 W\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"As",
"W"
],
"chemical_system": "As-Hf-W",
"density": 14.048517729718624,
"density_atomic": 0.0490103957715337,
"volume": 571.3073636565695,
"volume_molar": 12.287476289872748,
"formula_full": "Hf18 As2 W8",
"formula_reduced": "Hf9AsW4",
"formula_anonymous": "AB4C9",
"energy": -299.4146673,
"energy_per_atom": -10.693380975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -299.4146673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.57e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.304000Z",
"spacegroup": 194
},
{
"id": "mp-1189539",
"created_at": "2022-09-04T14:42:46.842974Z",
"structure_string": "Hf4 Al6 C10\n1.0\n1.612387 -2.792737 0.000000\n1.612387 2.792737 0.000000\n0.000000 0.000000 24.321043\nHf Al C\n4 6 10\ndirect\n0.666667 0.333333 0.943738 Hf\n0.333333 0.666667 0.443738 Hf\n0.666667 0.333333 0.556262 Hf\n0.333333 0.666667 0.056262 Hf\n0.000000 0.000000 0.846157 Al\n0.000000 0.000000 0.346157 Al\n0.000000 0.000000 0.153843 Al\n0.000000 0.000000 0.653843 Al\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.666667 0.333333 0.783642 C\n0.333333 0.666667 0.283642 C\n0.333333 0.666667 0.887327 C\n0.666667 0.333333 0.387327 C\n0.666667 0.333333 0.112673 C\n0.333333 0.666667 0.612673 C\n0.333333 0.666667 0.216358 C\n0.666667 0.333333 0.716358 C\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"Al",
"C"
],
"chemical_system": "Al-C-Hf",
"density": 7.550536871176133,
"density_atomic": 0.0913100283422259,
"volume": 219.03399180910222,
"volume_molar": 6.5952676494955025,
"formula_full": "Hf4 Al6 C10",
"formula_reduced": "Hf2Al3C5",
"formula_anonymous": "A2B3C5",
"energy": -157.1639766,
"energy_per_atom": -7.858198830000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.1639766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.840000Z",
"spacegroup": 194
},
{
"id": "mp-2192",
"created_at": "2022-09-04T14:42:47.102430Z",
"structure_string": "B2 Pt2\n1.0\n1.879375 -3.255172 0.000000\n1.879375 3.255172 0.000000\n0.000000 0.000000 3.662565\nB Pt\n2 2\ndirect\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.333333 0.666667 0.250000 Pt\n0.666667 0.333333 0.750000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Pt"
],
"chemical_system": "B-Pt",
"density": 15.25886287303918,
"density_atomic": 0.08926007925470313,
"volume": 44.81286632724157,
"volume_molar": 6.746734722042825,
"formula_full": "B2 Pt2",
"formula_reduced": "BPt",
"formula_anonymous": "AB",
"energy": -25.22023268,
"energy_per_atom": -6.30505817,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.22023268,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.794000Z",
"spacegroup": 194
},
{
"id": "mp-1193862",
"created_at": "2022-09-04T14:42:46.844962Z",
"structure_string": "Hf18 Re8 Si2\n1.0\n4.280187 -7.413502 0.000000\n4.280187 7.413502 0.000000\n0.000000 0.000000 8.699443\nHf Re Si\n18 8 2\ndirect\n0.195501 0.804499 0.453021 Hf\n0.195501 0.391002 0.453021 Hf\n0.608998 0.804499 0.453021 Hf\n0.804499 0.195501 0.546979 Hf\n0.804499 0.608998 0.546979 Hf\n0.391002 0.195501 0.546979 Hf\n0.804499 0.195501 0.953021 Hf\n0.804499 0.608998 0.953021 Hf\n0.391002 0.195501 0.953021 Hf\n0.195501 0.804499 0.046979 Hf\n0.195501 0.391002 0.046979 Hf\n0.608998 0.804499 0.046979 Hf\n0.539434 0.460566 0.250000 Hf\n0.539434 0.078867 0.250000 Hf\n0.921133 0.460566 0.250000 Hf\n0.460566 0.539434 0.750000 Hf\n0.460566 0.921133 0.750000 Hf\n0.078867 0.539434 0.750000 Hf\n0.890904 0.109096 0.250000 Re\n0.890904 0.781807 0.250000 Re\n0.218193 0.109096 0.250000 Re\n0.109096 0.890904 0.750000 Re\n0.109096 0.218193 0.750000 Re\n0.781807 0.890904 0.750000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"Re",
"Si"
],
"chemical_system": "Hf-Re-Si",
"density": 14.312812827609218,
"density_atomic": 0.05071663561884554,
"volume": 552.0870944679859,
"volume_molar": 11.874093552377245,
"formula_full": "Hf18 Re8 Si2",
"formula_reduced": "Hf9Re4Si",
"formula_anonymous": "AB4C9",
"energy": -300.16037627000003,
"energy_per_atom": -10.720013438214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -300.30237627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008176,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.545000Z",
"spacegroup": 194
},
{
"id": "mp-568058",
"created_at": "2022-09-04T14:42:46.914949Z",
"structure_string": "Yb2 In4\n1.0\n2.467538 -4.273901 0.000000\n2.467538 4.273901 0.000000\n0.000000 0.000000 7.642628\nYb In\n2 4\ndirect\n0.000000 0.000000 0.250000 Yb\n0.000000 0.000000 0.750000 Yb\n0.333333 0.666667 0.046341 In\n0.333333 0.666667 0.453659 In\n0.666667 0.333333 0.953659 In\n0.666667 0.333333 0.546341 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"In"
],
"chemical_system": "In-Yb",
"density": 8.296096874555632,
"density_atomic": 0.03722118762064435,
"volume": 161.1985104062655,
"volume_molar": 16.17933533281426,
"formula_full": "Yb2 In4",
"formula_reduced": "YbIn2",
"formula_anonymous": "AB2",
"energy": -16.84143186,
"energy_per_atom": -2.80690531,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.84143186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052864,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.150000Z",
"spacegroup": 194
},
{
"id": "mp-971788",
"created_at": "2022-09-04T14:42:46.948489Z",
"structure_string": "V2 Ru6\n1.0\n2.732538 -4.732895 0.000000\n2.732538 4.732895 0.000000\n0.000000 0.000000 4.258145\nV Ru\n2 6\ndirect\n0.333333 0.666667 0.750000 V\n0.666667 0.333333 0.250000 V\n0.169878 0.339756 0.250000 Ru\n0.660244 0.830122 0.250000 Ru\n0.169878 0.830122 0.250000 Ru\n0.830122 0.660244 0.750000 Ru\n0.339756 0.169878 0.750000 Ru\n0.830122 0.169878 0.750000 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"Ru"
],
"chemical_system": "Ru-V",
"density": 10.678854200148342,
"density_atomic": 0.07263508771927782,
"volume": 110.13960678231203,
"volume_molar": 8.290952691176672,
"formula_full": "V2 Ru6",
"formula_reduced": "VRu3",
"formula_anonymous": "AB3",
"energy": -74.75571276,
"energy_per_atom": -9.344464095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.75571276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.040889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.834000Z",
"spacegroup": 194
},
{
"id": "mp-976593",
"created_at": "2022-09-04T14:42:47.326982Z",
"structure_string": "Nd6 Si2\n1.0\n3.521674 -6.099719 0.000000\n3.521674 6.099719 0.000000\n0.000000 0.000000 5.116296\nNd Si\n6 2\ndirect\n0.180335 0.360669 0.250000 Nd\n0.639331 0.819665 0.250000 Nd\n0.180335 0.819665 0.250000 Nd\n0.819665 0.639331 0.750000 Nd\n0.360669 0.180335 0.750000 Nd\n0.819665 0.180335 0.750000 Nd\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Si"
],
"chemical_system": "Nd-Si",
"density": 6.962380663411666,
"density_atomic": 0.036395303844853524,
"volume": 219.8085784391999,
"volume_molar": 16.546477495204538,
"formula_full": "Nd6 Si2",
"formula_reduced": "Nd3Si",
"formula_anonymous": "AB3",
"energy": -41.23641721,
"energy_per_atom": -5.15455215125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.37841721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.130000Z",
"spacegroup": 194
},
{
"id": "mp-27918",
"created_at": "2022-09-04T14:42:47.305713Z",
"structure_string": "Sc6 Si8 Ni22\n1.0\n3.965987 -6.869290 0.000000\n3.965987 6.869290 0.000000\n0.000000 0.000000 8.323083\nSc Si Ni\n6 8 22\ndirect\n0.802341 0.604683 0.750000 Sc\n0.197659 0.802341 0.250000 Sc\n0.604683 0.802341 0.250000 Sc\n0.395317 0.197659 0.750000 Sc\n0.802341 0.197659 0.750000 Sc\n0.197659 0.395317 0.250000 Sc\n0.000000 0.000000 0.750000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.250000 Si\n0.847597 0.695195 0.092882 Ni\n0.695195 0.847597 0.907118 Ni\n0.152403 0.304805 0.907118 Ni\n0.152403 0.847597 0.907118 Ni\n0.304805 0.152403 0.407118 Ni\n0.438801 0.561199 0.750000 Ni\n0.122398 0.561199 0.750000 Ni\n0.877602 0.438801 0.250000 Ni\n0.561199 0.438801 0.250000 Ni\n0.438801 0.877602 0.750000 Ni\n0.333333 0.666667 0.003309 Ni\n0.666667 0.333333 0.503309 Ni\n0.666667 0.333333 0.996691 Ni\n0.333333 0.666667 0.496691 Ni\n0.847597 0.152403 0.407118 Ni\n0.847597 0.695195 0.407118 Ni\n0.152403 0.847597 0.592882 Ni\n0.695195 0.847597 0.592882 Ni\n0.304805 0.152403 0.092882 Ni\n0.847597 0.152403 0.092882 Ni\n0.152403 0.304805 0.592882 Ni\n0.561199 0.122398 0.250000 Ni\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ni"
],
"chemical_system": "Ni-Sc-Si",
"density": 6.538437548685156,
"density_atomic": 0.07938256760420592,
"volume": 453.50007043728596,
"volume_molar": 7.58622571900903,
"formula_full": "Sc6 Si8 Ni22",
"formula_reduced": "Sc3Si4Ni11",
"formula_anonymous": "A3B4C11",
"energy": -230.48114832,
"energy_per_atom": -6.402254119999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.48114832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.243000Z",
"spacegroup": 194
},
{
"id": "mp-1017510",
"created_at": "2022-09-04T14:42:48.368226Z",
"structure_string": "Mg2 Te2\n1.0\n2.122228 -3.675806 0.000000\n2.122228 3.675806 0.000000\n0.000000 0.000000 6.863667\nMg Te\n2 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Te"
],
"chemical_system": "Mg-Te",
"density": 4.7110784798275915,
"density_atomic": 0.0373533165422243,
"volume": 107.0855380533182,
"volume_molar": 16.122104587935468,
"formula_full": "Mg2 Te2",
"formula_reduced": "MgTe",
"formula_anonymous": "AB",
"energy": -13.64246631,
"energy_per_atom": -3.4106165775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.79846631,
"band_gap": 0.8200000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.449000Z",
"spacegroup": 194
},
{
"id": "mp-1188064",
"created_at": "2022-09-04T14:42:47.499869Z",
"structure_string": "Yb2 Ag6\n1.0\n3.120648 -5.405121 0.000000\n3.120648 5.405121 0.000000\n0.000000 0.000000 4.931933\nYb Ag\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.158731 0.317463 0.250000 Ag\n0.682537 0.841269 0.250000 Ag\n0.158731 0.841269 0.250000 Ag\n0.841269 0.682537 0.750000 Ag\n0.317463 0.158731 0.750000 Ag\n0.841269 0.158731 0.750000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Ag"
],
"chemical_system": "Ag-Yb",
"density": 9.913509845941741,
"density_atomic": 0.04808311757626142,
"volume": 166.37856285653137,
"volume_molar": 12.524439062106746,
"formula_full": "Yb2 Ag6",
"formula_reduced": "YbAg3",
"formula_anonymous": "AB3",
"energy": -22.29941541,
"energy_per_atom": -2.78742692625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.29941541,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.111000Z",
"spacegroup": 194
}
]
}