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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=673",
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"results": [
{
"id": "jvasp-51386",
"created_at": "2022-09-04T14:37:03.679531Z",
"updated_at": "2022-09-04T14:37:03.679554Z",
"structure_string": "Mn4 H4 S2 O12\n1.0\n5.735393 0.010132 2.175567\n1.556721 6.035322 2.633641\n-0.000306 0.027817 6.766371\nMn H S O\n4 4 2 12\ndirect\n0.820661 0.344666 0.150589 Mn\n0.179338 0.655334 0.849412 Mn\n0.320661 0.150589 0.344666 Mn\n0.679338 0.849411 0.655334 Mn\n0.189490 0.052149 0.769662 H\n0.310508 0.230339 0.947851 H\n0.810508 0.947850 0.230339 H\n0.689490 0.769661 0.052150 H\n0.749999 0.315547 0.684453 S\n0.250000 0.684453 0.315547 S\n0.414785 0.459124 0.321310 O\n0.914785 0.321309 0.459124 O\n0.585213 0.540876 0.678691 O\n0.395164 0.844874 0.250370 O\n0.104835 0.749630 0.155126 O\n0.604835 0.155126 0.749631 O\n0.295595 0.950954 0.682021 O\n0.204404 0.317980 0.049046 O\n0.704404 0.049045 0.317980 O\n0.795594 0.682020 0.950955 O\n0.085214 0.678691 0.540876 O\n0.895163 0.250370 0.844875 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.09410199879702494,
"volume": 233.78887038790015,
"volume_molar": 6.399588570896957,
"formula_full": "Mn4 H4 S2 O12",
"formula_reduced": "Mn2H2SO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.1745532257053286,
"spacegroup": 15
},
{
"id": "jvasp-11310",
"created_at": "2022-09-04T14:37:03.766601Z",
"updated_at": "2022-09-04T14:37:03.766626Z",
"structure_string": "Mg2 W2 F10\n1.0\n4.870227 0.180073 -2.048662\n-1.817121 4.925529 -0.621121\n-0.217403 0.065230 7.838639\nMg W F\n2 2 10\ndirect\n0.269378 0.519378 0.750000 Mg\n0.730623 0.480622 0.250000 Mg\n0.000000 0.000000 0.000000 W\n0.500000 -0.000000 0.500000 W\n0.401164 0.151163 0.250000 F\n0.598837 0.848836 0.750000 F\n0.548084 0.699757 0.340483 F\n0.859274 0.207599 0.159518 F\n0.750093 0.673548 0.047847 F\n0.125703 0.702246 0.452154 F\n0.249908 0.326451 0.952154 F\n0.874298 0.297753 0.547847 F\n0.140727 0.792400 0.840483 F\n0.451918 0.300243 0.659518 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"W",
"F"
],
"chemical_system": "F-Mg-W",
"density": 5.33027496886481,
"density_atomic": 0.0741241258183099,
"volume": 188.8723792077662,
"volume_molar": 8.124400380466179,
"formula_full": "Mg2 W2 F10",
"formula_reduced": "MgWF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.6533314946428571,
"spacegroup": 15
},
{
"id": "jvasp-50981",
"created_at": "2022-09-04T14:37:03.780885Z",
"updated_at": "2022-09-04T14:37:03.780911Z",
"structure_string": "Na4 Lu4 O8\n1.0\n5.769083 0.021750 0.000035\n-2.229643 5.471822 -0.000195\n-1.769493 -2.746683 6.458221\nNa Lu O\n4 4 8\ndirect\n0.805510 0.055466 0.610963 Na\n0.429901 0.179895 0.859787 Na\n0.570100 0.820105 0.140215 Na\n0.194491 0.944535 0.389038 Na\n0.943383 0.693382 0.886775 Lu\n0.682823 0.432813 0.365647 Lu\n0.317178 0.567188 0.634355 Lu\n0.056618 0.306618 0.113227 Lu\n0.941642 0.232510 0.373025 O\n0.707182 0.918306 0.876120 O\n0.568604 0.359485 0.626972 O\n0.168935 0.457813 0.876112 O\n0.831066 0.542188 0.123889 O\n0.431397 0.640516 0.373030 O\n0.292819 0.081695 0.123882 O\n0.058359 0.767490 0.626976 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Lu",
"O"
],
"chemical_system": "Lu-Na-O",
"density": 7.480662924631287,
"density_atomic": 0.0783622771422552,
"volume": 204.17987561737584,
"volume_molar": 7.684999695794557,
"formula_full": "Na4 Lu4 O8",
"formula_reduced": "NaLuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5752104375,
"spacegroup": 15
},
{
"id": "jvasp-19054",
"created_at": "2022-09-04T14:37:03.876258Z",
"updated_at": "2022-09-04T14:37:03.876276Z",
"structure_string": "Li8 Sn4 O12\n1.0\n5.247841 0.000000 0.941932\n2.623920 4.629275 0.470967\n0.027714 -0.000000 10.031459\nLi Sn O\n8 4 12\ndirect\n0.843263 0.845579 0.999077 Li\n0.311156 0.845579 0.500924 Li\n0.156736 0.154421 0.000923 Li\n0.688844 0.154421 0.499077 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.085233 0.829535 0.250000 Li\n0.914767 0.170464 0.750000 Li\n0.250468 0.499064 0.750000 Sn\n0.582942 0.834117 0.750000 Sn\n0.749532 0.500935 0.250000 Sn\n0.417058 0.165883 0.250000 Sn\n0.470216 0.833964 0.131937 O\n0.393298 0.483149 0.368059 O\n0.876447 0.516850 0.868059 O\n0.606702 0.516850 0.631941 O\n0.304180 0.166035 0.631937 O\n0.695820 0.833964 0.368064 O\n0.529783 0.166035 0.868063 O\n0.775187 0.183088 0.129171 O\n0.123553 0.483149 0.131941 O\n0.958275 0.816911 0.629171 O\n0.224812 0.816911 0.870829 O\n0.041725 0.183088 0.370829 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.924486219936759,
"density_atomic": 0.09853009475836877,
"volume": 243.58040108310695,
"volume_molar": 6.111981090415527,
"formula_full": "Li8 Sn4 O12",
"formula_reduced": "Li2SnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.329592033333333,
"spacegroup": 15
},
{
"id": "jvasp-56691",
"created_at": "2022-09-04T14:37:04.032499Z",
"updated_at": "2022-09-04T14:37:04.032514Z",
"structure_string": "Hg4 Mo2 O8\n1.0\n4.798086 0.029777 -1.283275\n-2.550540 6.589020 -2.078526\n0.015632 0.054746 7.364609\nHg Mo O\n4 2 8\ndirect\n0.516899 0.249167 0.467944 Hg\n0.983103 0.532058 0.750834 Hg\n0.483102 0.750834 0.532057 Hg\n0.016898 0.467944 0.249166 Hg\n0.250000 0.100179 0.899822 Mo\n0.750001 0.899822 0.100179 Mo\n0.704757 0.949541 0.335162 O\n0.295244 0.050460 0.664839 O\n0.853242 0.915900 0.818367 O\n0.353242 0.818367 0.915899 O\n0.204757 0.335162 0.949541 O\n0.646759 0.181634 0.084102 O\n0.146759 0.084101 0.181633 O\n0.795244 0.664839 0.050460 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Mo",
"O"
],
"chemical_system": "Hg-Mo-O",
"density": 7.955395023699052,
"density_atomic": 0.05976635923641099,
"volume": 234.24548824568336,
"volume_molar": 10.07613787578879,
"formula_full": "Hg4 Mo2 O8",
"formula_reduced": "Hg2MoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.812312728571428,
"spacegroup": 15
},
{
"id": "jvasp-14264",
"created_at": "2022-09-04T14:37:04.104186Z",
"updated_at": "2022-09-04T14:37:04.104218Z",
"structure_string": "Ta4 Sn2 O14\n1.0\n4.767783 -0.000000 -1.353283\n0.070904 5.182742 0.249804\n-0.119912 0.553954 8.652923\nTa Sn O\n4 2 14\ndirect\n0.610036 0.803557 0.675493 Ta\n0.065457 0.303557 0.675493 Ta\n0.389963 0.196442 0.324506 Ta\n0.934542 0.696442 0.324506 Ta\n0.769956 0.250000 0.000000 Sn\n0.230042 0.750000 -0.000000 Sn\n0.691049 0.996798 0.282780 O\n0.408270 0.503201 0.717220 O\n0.905455 0.027845 0.838314 O\n0.067141 0.472154 0.161686 O\n0.682976 0.164860 0.551889 O\n0.622773 0.750000 -0.000000 O\n0.377226 0.250000 -0.000000 O\n0.591729 0.496798 0.282780 O\n0.308950 0.003201 0.717220 O\n0.868912 0.664860 0.551889 O\n0.317023 0.835139 0.448110 O\n0.131087 0.335139 0.448110 O\n0.932858 0.527845 0.838313 O\n0.094544 0.972154 0.161686 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ta",
"density": 9.271944540454216,
"density_atomic": 0.09422343599774673,
"volume": 212.26141658088423,
"volume_molar": 6.391340642835414,
"formula_full": "Ta4 Sn2 O14",
"formula_reduced": "Ta2SnO7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.42813346,
"spacegroup": 15
},
{
"id": "jvasp-7658",
"created_at": "2022-09-04T14:37:04.449346Z",
"updated_at": "2022-09-04T14:37:04.449366Z",
"structure_string": "Sr2 C4\n1.0\n4.019115 0.003432 1.042527\n1.562995 3.702747 1.042527\n-0.009363 -0.006216 7.718553\nSr C\n2 4\ndirect\n0.821951 0.178049 0.250000 Sr\n0.178050 0.821951 0.750000 Sr\n0.133288 0.424249 0.443515 C\n0.575751 0.866713 0.056485 C\n0.424250 0.133287 0.943515 C\n0.866713 0.575750 0.556485 C\n",
"nsites": 6,
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"elements": [
"Sr",
"C"
],
"chemical_system": "C-Sr",
"density": 3.227556434633962,
"density_atomic": 0.05223008444965685,
"volume": 114.87632201290495,
"volume_molar": 11.530023019213337,
"formula_full": "Sr2 C4",
"formula_reduced": "SrC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.3463487699999988,
"spacegroup": 15
},
{
"id": "jvasp-32400",
"created_at": "2022-09-04T14:37:04.526389Z",
"updated_at": "2022-09-04T14:37:04.526405Z",
"structure_string": "Ru2 O8\n1.0\n4.211772 -0.000056 1.219331\n1.961428 4.596332 1.107805\n0.001405 0.013135 7.874014\nRu O\n2 8\ndirect\n0.243656 0.749951 0.249992 Ru\n0.756343 0.250049 0.750008 Ru\n0.900552 0.810704 0.425758 O\n0.412429 0.546234 0.692292 O\n0.136958 0.689241 0.074210 O\n0.587568 0.453768 0.307708 O\n0.650820 0.953905 0.807711 O\n0.863041 0.310760 0.925791 O\n0.349178 0.046094 0.192289 O\n0.099449 0.189295 0.574241 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Ru",
"density": 3.597274629460098,
"density_atomic": 0.06561946190067562,
"volume": 152.39381290776845,
"volume_molar": 9.177369922836865,
"formula_full": "Ru2 O8",
"formula_reduced": "RuO4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.8604009000000006,
"spacegroup": 15
},
{
"id": "jvasp-11002",
"created_at": "2022-09-04T14:37:04.487299Z",
"updated_at": "2022-09-04T14:37:04.487334Z",
"structure_string": "Tb2 Nb2 O8\n1.0\n4.809181 0.013055 -1.832949\n-1.217897 4.806704 -2.021488\n-0.023860 0.001304 6.593087\nTb Nb O\n2 2 8\ndirect\n0.878648 0.128647 0.757297 Tb\n0.121351 0.871351 0.242702 Tb\n0.356811 0.606810 0.713624 Nb\n0.643187 0.393187 0.286375 Nb\n0.289223 0.128719 0.077366 O\n0.788142 0.448645 0.077365 O\n0.710776 0.871279 0.922634 O\n0.211856 0.551352 0.922635 O\n0.509971 0.716131 0.436720 O\n0.926748 0.220587 0.436720 O\n0.490028 0.283866 0.563279 O\n0.073250 0.779410 0.563279 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 6.886180751196618,
"density_atomic": 0.07878220138105521,
"volume": 152.3186682986704,
"volume_molar": 7.644037173919524,
"formula_full": "Tb2 Nb2 O8",
"formula_reduced": "TbNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5060569666666668,
"spacegroup": 15
},
{
"id": "jvasp-27716",
"created_at": "2022-09-04T14:37:05.814452Z",
"updated_at": "2022-09-04T14:37:05.814471Z",
"structure_string": "Ca2 Mn2 Ge4 O12\n1.0\n5.386499 -0.117078 1.079736\n1.227191 6.736973 0.817275\n-0.135222 0.100626 6.894369\nCa Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.307638 0.692363 Ca\n0.250000 0.692362 0.307637 Ca\n0.750000 0.907971 0.092029 Mn\n0.250000 0.092029 0.907972 Mn\n0.768711 0.384698 0.185810 Ge\n0.731289 0.814190 0.615302 Ge\n0.231289 0.615302 0.814190 Ge\n0.268711 0.185810 0.384698 Ge\n0.637917 0.984553 0.792985 O\n0.862083 0.207014 0.015447 O\n0.644799 0.626628 0.107028 O\n0.855202 0.892972 0.373372 O\n0.355202 0.373372 0.892972 O\n0.977276 0.605883 0.677357 O\n0.022725 0.394117 0.322643 O\n0.477275 0.677356 0.605883 O\n0.137917 0.792986 0.984553 O\n0.522725 0.322643 0.394117 O\n0.144799 0.107028 0.626628 O\n0.362083 0.015447 0.207015 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Ca-Ge-Mn-O",
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"density_atomic": 0.07940756983603245,
"volume": 251.8651564491611,
"volume_molar": 7.5838371233813495,
"formula_full": "Ca2 Mn2 Ge4 O12",
"formula_reduced": "CaMn(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.170823056137931,
"spacegroup": 15
},
{
"id": "jvasp-13316",
"created_at": "2022-09-04T14:37:04.841575Z",
"updated_at": "2022-09-04T14:37:04.841603Z",
"structure_string": "Li4 Mn4 O8\n1.0\n5.656905 0.089712 -0.303192\n0.089712 5.656905 -0.303192\n-2.879414 -2.879414 5.120217\nLi Mn O\n4 4 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.198564 0.801435 0.250000 Li\n0.801436 0.198565 0.750001 Li\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500001 Mn\n0.500000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.260644 0.745260 0.976092 O\n0.248281 0.251718 0.478092 O\n0.254741 0.739357 0.523909 O\n0.251718 0.248281 0.978092 O\n0.748282 0.751719 0.021909 O\n0.745259 0.260643 0.476092 O\n0.751719 0.748282 0.521909 O\n0.739356 0.254740 0.023909 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.046717226133281,
"density_atomic": 0.10383664328942825,
"volume": 154.08818595380174,
"volume_molar": 5.799629657917806,
"formula_full": "Li4 Mn4 O8",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9532085603448277,
"spacegroup": 15
},
{
"id": "jvasp-8773",
"created_at": "2022-09-04T14:37:04.933171Z",
"updated_at": "2022-09-04T14:37:04.933187Z",
"structure_string": "Na2 Sb2 Se4\n1.0\n8.578359 0.000018 -0.002043\n8.578865 7.429609 0.005201\n4.290224 4.957309 3.389957\nNa Sb Se\n2 2 4\ndirect\n0.240917 0.500018 -0.000002 Na\n0.509083 -0.000018 0.000003 Na\n0.974096 -0.000025 0.000023 Sb\n0.775905 0.500024 -0.000021 Sb\n0.539073 0.478807 0.509359 Se\n0.210927 0.021193 0.490643 Se\n0.006038 0.521228 0.490636 Se\n0.743962 0.978772 0.509366 Se\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.65772065099429,
"density_atomic": 0.037069376908654764,
"volume": 215.81155841149845,
"volume_molar": 16.24559477986257,
"formula_full": "Na2 Sb2 Se4",
"formula_reduced": "NaSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7477854583333334,
"spacegroup": 15
}
]
}