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{
"id": "jvasp-92590",
"created_at": "2022-09-04T14:36:34.334238Z",
"updated_at": "2022-09-04T14:36:34.334259Z",
"structure_string": "Nd1 Si2 Ir2\n1.0\n4.249669 0.000000 0.000000\n0.000000 4.249669 0.000000\n-2.124833 -2.124833 5.004193\nNd Si Ir\n1 2 2\ndirect\n0.017996 0.017996 0.035994 Nd\n0.768002 0.268002 0.536003 Si\n0.268002 0.768002 0.536003 Si\n0.650353 0.650353 0.300706 Ir\n0.385647 0.385647 0.771292 Ir\n",
"nsites": 5,
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"volume": 90.37415731375887,
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{
"id": "jvasp-2895",
"created_at": "2022-09-04T14:36:34.530094Z",
"updated_at": "2022-09-04T14:36:34.530111Z",
"structure_string": "Ho2 C1 F2\n1.0\n1.819849 -3.152070 0.000000\n1.819849 3.152070 0.000000\n0.000000 -0.000000 6.312844\nHo C F\n2 1 2\ndirect\n0.333333 0.666667 0.212827 Ho\n0.666667 0.333333 0.787172 Ho\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.386565 F\n0.333333 0.666667 0.613434 F\n",
"nsites": 5,
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],
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"formula_full": "Ho2 C1 F2",
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{
"id": "jvasp-14890",
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"updated_at": "2022-09-04T14:36:34.929110Z",
"structure_string": "Co1 B2 W2\n1.0\n2.986417 0.000000 1.126908\n0.874457 3.852989 2.203206\n-0.001184 0.008166 4.523743\nCo B W\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500001 0.703939 0.296062 B\n0.500002 0.296062 0.703938 B\n0.798770 0.701233 0.701232 W\n0.201233 0.298768 0.298768 W\n",
"nsites": 5,
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"elements": [
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"B",
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],
"chemical_system": "B-Co-W",
"density": 14.31025239959918,
"density_atomic": 0.09613073142471046,
"volume": 52.01250345126103,
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"formula_full": "Co1 B2 W2",
"formula_reduced": "Co(BW)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 71
},
{
"id": "jvasp-103657",
"created_at": "2022-09-04T14:36:39.950101Z",
"updated_at": "2022-09-04T14:36:39.950121Z",
"structure_string": "Ce1 Al2 Si2\n1.0\n4.217706 -0.000000 0.000000\n-2.108854 3.652641 0.000000\n0.000000 0.000000 6.842658\nCe Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333334 0.666667 0.641191 Al\n0.666668 0.333333 0.358809 Al\n0.333334 0.666667 0.267120 Si\n0.666668 0.333333 0.732880 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Si"
],
"chemical_system": "Al-Ce-Si",
"density": 3.9419870227273917,
"density_atomic": 0.047430955863779906,
"volume": 105.41638701863462,
"volume_molar": 12.696646420737089,
"formula_full": "Ce1 Al2 Si2",
"formula_reduced": "Ce(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.43695166,
"spacegroup": 164
},
{
"id": "jvasp-57046",
"created_at": "2022-09-04T14:36:38.028295Z",
"updated_at": "2022-09-04T14:36:38.028306Z",
"structure_string": "Rb1 Co2 S2\n1.0\n3.626081 0.000000 -0.948803\n-0.248265 3.617573 -0.948803\n-0.084767 -0.090784 7.079414\nRb Co S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.249999 0.750000 0.500000 Co\n0.749999 0.250000 0.500000 Co\n0.341783 0.341785 0.683568 S\n0.658214 0.658216 0.316432 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Co",
"S"
],
"chemical_system": "Co-Rb-S",
"density": 4.814972954109958,
"density_atomic": 0.05420621896199215,
"volume": 92.24033876086905,
"volume_molar": 11.109686075360747,
"formula_full": "Rb1 Co2 S2",
"formula_reduced": "Rb(CoS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.86579036,
"spacegroup": 139
},
{
"id": "jvasp-15240",
"created_at": "2022-09-04T14:36:37.154297Z",
"updated_at": "2022-09-04T14:36:37.154315Z",
"structure_string": "La1 Si2 Ir2\n1.0\n3.899898 0.000000 -1.446802\n-0.536741 3.862786 -1.446802\n-0.008858 -0.010174 5.955671\nLa Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.627121 0.627121 0.254240 Si\n0.372880 0.372881 0.745761 Si\n0.750000 0.250001 0.500000 Ir\n0.250000 0.750001 0.500001 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Si",
"Ir"
],
"chemical_system": "Ir-La-Si",
"density": 10.739446489946058,
"density_atomic": 0.05580094046384804,
"volume": 89.60422456032562,
"volume_molar": 10.792185059858602,
"formula_full": "La1 Si2 Ir2",
"formula_reduced": "La(SiIr)2",
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"spacegroup": 139
},
{
"id": "jvasp-99549",
"created_at": "2022-09-04T14:36:34.951309Z",
"updated_at": "2022-09-04T14:36:34.951329Z",
"structure_string": "Yb1 Zn2 Si2\n1.0\n3.939256 -0.010110 -4.346031\n-0.593615 3.894286 -4.346031\n0.008708 0.010110 5.865633\nYb Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750001 0.250000 0.500001 Zn\n0.250001 0.750001 0.500002 Zn\n0.384357 0.384356 0.000001 Si\n0.615646 0.615645 0.000002 Si\n",
"nsites": 5,
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"elements": [
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"Zn",
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],
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"density": 6.6210628588202605,
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"volume": 90.29399544402675,
"volume_molar": 10.875263006934556,
"formula_full": "Yb1 Zn2 Si2",
"formula_reduced": "Yb(ZnSi)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-2409",
"created_at": "2022-09-04T14:36:58.097838Z",
"updated_at": "2022-09-04T14:36:58.097866Z",
"structure_string": "Rb2 Hg1 O2\n1.0\n3.975126 -0.000000 -1.109566\n-0.309710 3.963042 -1.109566\n0.020729 0.022412 7.749681\nRb Hg O\n2 1 2\ndirect\n0.666995 0.666994 0.333987 Rb\n0.333006 0.333005 0.666012 Rb\n0.000000 0.000000 0.000000 Hg\n0.860782 0.860781 0.721563 O\n0.139219 0.139218 0.278436 O\n",
"nsites": 5,
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"elements": [
"Rb",
"Hg",
"O"
],
"chemical_system": "Hg-O-Rb",
"density": 5.479649403048094,
"density_atomic": 0.04088875422652189,
"volume": 122.28301141923329,
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"formula_full": "Rb2 Hg1 O2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 0.04315632,
"spacegroup": 139
},
{
"id": "jvasp-15252",
"created_at": "2022-09-04T14:36:58.039204Z",
"updated_at": "2022-09-04T14:36:58.039229Z",
"structure_string": "Tb1 Si2 Ru2\n1.0\n3.896197 0.000000 -1.554200\n-0.619973 3.846555 -1.554200\n-0.009450 -0.011095 5.637064\nTb Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.631516 0.631516 0.263028 Si\n0.368486 0.368487 0.736972 Si\n0.750001 0.250001 0.500000 Ru\n0.250001 0.750002 0.500000 Ru\n",
"nsites": 5,
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"elements": [
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"Si",
"Ru"
],
"chemical_system": "Ru-Si-Tb",
"density": 8.214038258902868,
"density_atomic": 0.05927826592797202,
"volume": 84.34794644761391,
"volume_molar": 10.159104126489458,
"formula_full": "Tb1 Si2 Ru2",
"formula_reduced": "Tb(SiRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.38623132,
"spacegroup": 139
},
{
"id": "jvasp-99046",
"created_at": "2022-09-04T14:36:37.615682Z",
"updated_at": "2022-09-04T14:36:37.615712Z",
"structure_string": "La4 Al4 I2\n1.0\n4.397252 -0.000000 -0.000000\n-2.198625 3.808132 0.000000\n0.000000 0.000000 17.654641\nLa Al I\n4 4 2\ndirect\n0.000000 0.000000 0.379802 La\n0.000000 0.000000 0.879802 La\n0.000000 0.000000 0.620198 La\n0.000000 0.000000 0.120198 La\n0.666666 0.333333 0.492780 Al\n0.333332 0.666667 0.992780 Al\n0.333332 0.666667 0.507220 Al\n0.666666 0.333333 0.007220 Al\n0.333332 0.666667 0.250000 I\n0.666666 0.333333 0.750000 I\n",
"nsites": 10,
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"elements": [
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"Al",
"I"
],
"chemical_system": "Al-I-La",
"density": 5.152704356353196,
"density_atomic": 0.033825775358216494,
"volume": 295.6325433519128,
"volume_molar": 17.80340789302021,
"formula_full": "La4 Al4 I2",
"formula_reduced": "La2Al2I",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.282814375,
"spacegroup": 194
},
{
"id": "jvasp-87097",
"created_at": "2022-09-04T14:36:17.876629Z",
"updated_at": "2022-09-04T14:36:17.876658Z",
"structure_string": "K4 Mn2 Te4\n1.0\n6.356351 -0.000000 -2.736488\n-1.364141 6.507033 -3.168646\n-0.026534 0.057564 8.688917\nK Mn Te\n4 2 4\ndirect\n0.143189 0.465516 0.286378 K\n0.856811 0.534483 0.713622 K\n0.356811 0.179138 0.713622 K\n0.643189 0.820861 0.286377 K\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n0.890982 0.092323 0.781963 Te\n0.109019 0.907676 0.218036 Te\n0.609018 0.310361 0.218036 Te\n0.390982 0.689638 0.781963 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "K-Mn-Te",
"density": 3.5796476542822164,
"density_atomic": 0.027755883141383133,
"volume": 360.2839783213498,
"volume_molar": 21.69680831023957,
"formula_full": "K4 Mn2 Te4",
"formula_reduced": "K2MnTe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7430897549425284,
"spacegroup": 72
},
{
"id": "jvasp-100270",
"created_at": "2022-09-04T14:36:35.125697Z",
"updated_at": "2022-09-04T14:36:35.125725Z",
"structure_string": "Tb4 Co2 Si4\n1.0\n5.027824 0.000090 2.564525\n3.311862 3.782935 2.564525\n0.019499 0.008845 10.046327\nTb Co Si\n4 2 4\ndirect\n0.001834 0.001833 0.328238 Tb\n-0.001833 -0.001835 0.671762 Tb\n0.813689 0.813688 0.105000 Tb\n0.186312 0.186310 0.895000 Tb\n0.726637 0.726635 0.621536 Co\n0.273364 0.273362 0.378464 Co\n0.654853 0.654852 0.432729 Si\n0.345147 0.345146 0.567271 Si\n0.504891 0.504890 0.127164 Si\n0.495110 0.495107 0.872835 Si\n",
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],
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"formula_anonymous": "AB2C2",
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"spacegroup": 12
}
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}