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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=541",
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"results": [
{
"id": "jvasp-105203",
"created_at": "2022-09-04T14:36:48.463619Z",
"updated_at": "2022-09-04T14:36:48.463645Z",
"structure_string": "Mg5 In1\n1.0\n8.250938 0.058391 0.000000\n-7.636949 3.123842 0.000000\n0.000000 0.000000 5.190859\nMg In\n5 1\ndirect\n-0.000094 0.000094 0.000000 Mg\n0.332790 0.667209 -0.000000 Mg\n0.665452 0.334547 -0.000000 Mg\n0.445685 0.554314 0.500000 Mg\n0.111927 0.888072 0.500000 Mg\n0.777577 0.222423 0.500000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"In"
],
"chemical_system": "In-Mg",
"density": 2.8834386577948075,
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"volume": 136.1072078147091,
"volume_molar": 13.660946065179171,
"formula_full": "Mg5 In1",
"formula_reduced": "Mg5In",
"formula_anonymous": "AB5",
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"spacegroup": 38
},
{
"id": "jvasp-21730",
"created_at": "2022-09-04T14:37:29.558540Z",
"updated_at": "2022-09-04T14:37:29.558565Z",
"structure_string": "Mg4 Ir8\n1.0\n2.607190 -4.515785 0.000000\n2.607190 4.515785 -0.000000\n0.000000 -0.000000 8.443353\nMg Ir\n4 8\ndirect\n0.333333 0.666667 0.930834 Mg\n0.666667 0.333333 0.430834 Mg\n0.666667 0.333333 0.069166 Mg\n0.333333 0.666667 0.569166 Mg\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.827867 0.172133 0.750000 Ir\n0.172133 0.344265 0.250000 Ir\n0.655735 0.827867 0.250000 Ir\n0.344265 0.172133 0.750000 Ir\n0.827867 0.655735 0.750000 Ir\n0.172133 0.827867 0.250000 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Ir"
],
"chemical_system": "Ir-Mg",
"density": 13.65539559773564,
"density_atomic": 0.060357378022258885,
"volume": 198.81579341591979,
"volume_molar": 9.977472443847919,
"formula_full": "Mg4 Ir8",
"formula_reduced": "MgIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.380200416666666,
"spacegroup": 194
},
{
"id": "jvasp-8724",
"created_at": "2022-09-04T14:37:04.334235Z",
"updated_at": "2022-09-04T14:37:04.334261Z",
"structure_string": "Mg6 Ir2\n1.0\n2.283124 -3.954487 -0.000000\n2.283124 3.954487 -0.000000\n0.000000 0.000000 8.246349\nMg Ir\n6 2\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333332 0.666666 0.577715 Mg\n0.666666 0.333332 0.077715 Mg\n0.666666 0.333332 0.422286 Mg\n0.333332 0.666666 0.922286 Mg\n0.333332 0.666666 0.250000 Ir\n0.666666 0.333332 0.750000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ir"
],
"chemical_system": "Ir-Mg",
"density": 5.91329959456454,
"density_atomic": 0.053725272734826274,
"volume": 148.90571220523873,
"volume_molar": 11.20913948584997,
"formula_full": "Mg6 Ir2",
"formula_reduced": "Mg3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4169895624999999,
"spacegroup": 194
},
{
"id": "jvasp-79182",
"created_at": "2022-09-04T14:36:34.965211Z",
"updated_at": "2022-09-04T14:36:34.965238Z",
"structure_string": "Mg3 Mn1\n1.0\n6.083047 -0.073348 0.000000\n-1.552521 2.689047 0.000000\n0.000000 0.000000 4.850114\nMg Mn\n3 1\ndirect\n0.669148 0.669148 0.250000 Mg\n0.318947 0.318946 0.749999 Mg\n0.840090 0.340089 0.749999 Mg\n0.171816 0.671816 0.250000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.6947755534050364,
"density_atomic": 0.05077178319787436,
"volume": 78.7839179177671,
"volume_molar": 11.86119608312699,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6807610344827588,
"spacegroup": 25
},
{
"id": "jvasp-37197",
"created_at": "2022-09-04T14:38:00.418568Z",
"updated_at": "2022-09-04T14:38:00.418584Z",
"structure_string": "Mg3 Mn1\n1.0\n0.000000 3.373119 3.373119\n3.373119 0.000000 3.373119\n3.373119 3.373119 0.000000\nMg Mn\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.7658918136832873,
"density_atomic": 0.052111671911102664,
"volume": 76.75823579069969,
"volume_molar": 11.556222510521586,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6756935344827588,
"spacegroup": 225
},
{
"id": "jvasp-91881",
"created_at": "2022-09-04T14:36:13.449012Z",
"updated_at": "2022-09-04T14:36:13.449037Z",
"structure_string": "Mg7 Mn1\n1.0\n6.272723 0.000000 0.000000\n-3.136361 5.432337 0.000000\n-0.000000 -0.000000 4.967297\nMg Mn\n7 1\ndirect\n0.167337 0.833669 0.250000 Mg\n0.666332 0.332663 0.250000 Mg\n0.666332 0.833669 0.250000 Mg\n0.327462 0.172538 0.750001 Mg\n0.327463 0.654927 0.750001 Mg\n0.845073 0.172538 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n0.166667 0.333333 0.250000 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.2080537575020904,
"density_atomic": 0.04726362692758603,
"volume": 169.2633536621519,
"volume_molar": 12.741596765789252,
"formula_full": "Mg7 Mn1",
"formula_reduced": "Mg7Mn",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-37198",
"created_at": "2022-09-04T14:38:04.520019Z",
"updated_at": "2022-09-04T14:38:04.520045Z",
"structure_string": "Mg3 Mn1\n1.0\n4.260202 0.000000 0.000000\n0.000000 4.260202 0.000000\n-0.000000 -0.000000 4.260202\nMg Mn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.745804405696407,
"density_atomic": 0.05173320865763116,
"volume": 77.31977396708334,
"volume_molar": 11.640764059028989,
"formula_full": "Mg3 Mn1",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6767560344827588,
"spacegroup": 221
},
{
"id": "jvasp-91602",
"created_at": "2022-09-04T14:36:17.882303Z",
"updated_at": "2022-09-04T14:36:17.882330Z",
"structure_string": "Mg6 Mn2\n1.0\n0.000000 -4.680200 0.000000\n-0.032518 0.000000 -4.722505\n8.317337 0.000000 2.369383\nMg Mn\n6 2\ndirect\n0.750000 0.433132 0.366982 Mg\n0.250000 0.566870 0.633018 Mg\n0.750000 0.060121 0.615664 Mg\n0.250000 0.939881 0.384336 Mg\n0.750000 0.244487 0.994885 Mg\n0.250000 0.755515 0.005116 Mg\n0.750000 0.847020 0.197524 Mn\n0.250000 0.152981 0.802476 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 2.3143112399598382,
"density_atomic": 0.04360352326158411,
"volume": 183.47141243625646,
"volume_molar": 13.811133389089385,
"formula_full": "Mg6 Mn2",
"formula_reduced": "Mg3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7193810344827588,
"spacegroup": 63
},
{
"id": "jvasp-37199",
"created_at": "2022-09-04T14:38:04.549975Z",
"updated_at": "2022-09-04T14:38:04.550005Z",
"structure_string": "Mg3 Mo1\n1.0\n4.192164 -0.000000 -0.000000\n-0.000000 4.192164 -0.000000\n0.000000 0.000000 4.192164\nMg Mo\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
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"elements": [
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo",
"density": 3.805819877685439,
"density_atomic": 0.05429316992342088,
"volume": 73.6740920753365,
"volume_molar": 11.091893821071924,
"formula_full": "Mg3 Mo1",
"formula_reduced": "Mg3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9285132625,
"spacegroup": 221
},
{
"id": "jvasp-91880",
"created_at": "2022-09-04T14:36:10.372860Z",
"updated_at": "2022-09-04T14:36:10.372882Z",
"structure_string": "Mg7 Mo1\n1.0\n6.208077 0.000000 -0.000000\n-3.104039 5.376352 0.000000\n0.000000 -0.000000 4.914906\nMg Mo\n7 1\ndirect\n0.169463 0.834730 0.250000 Mg\n0.665269 0.330536 0.250000 Mg\n0.665269 0.834730 0.250000 Mg\n0.322530 0.177470 0.750001 Mg\n0.322530 0.645060 0.750001 Mg\n0.854940 0.177470 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n0.166667 0.333333 0.250000 Mo\n",
"nsites": 8,
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],
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"density": 2.693352286167484,
"density_atomic": 0.04876744253063561,
"volume": 164.04386994405982,
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"formula_full": "Mg7 Mo1",
"formula_reduced": "Mg7Mo",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0293436562499999,
"spacegroup": 187
},
{
"id": "jvasp-79166",
"created_at": "2022-09-04T14:37:51.537153Z",
"updated_at": "2022-09-04T14:37:51.537178Z",
"structure_string": "Mg3 Mo1\n1.0\n6.131840 0.256632 0.000000\n-1.421834 2.462690 -0.000000\n0.000000 0.000000 4.889066\nMg Mo\n3 1\ndirect\n0.650994 0.650993 0.250000 Mg\n0.329602 0.329602 0.750001 Mg\n0.867956 0.367955 0.750001 Mg\n0.151448 0.651448 0.250000 Mo\n",
"nsites": 4,
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"elements": [
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"Mo"
],
"chemical_system": "Mg-Mo",
"density": 3.708235301290895,
"density_atomic": 0.05290104518857499,
"volume": 75.61287278429572,
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"formula_full": "Mg3 Mo1",
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"spacegroup": 25
},
{
"id": "jvasp-114348",
"created_at": "2022-09-04T14:38:40.799882Z",
"updated_at": "2022-09-04T14:38:40.799890Z",
"structure_string": "Mg3 N1\n1.0\n4.197398 0.363250 -0.665749\n2.615148 -5.601776 -0.214735\n-0.263439 -1.854677 -2.657191\nMg N\n3 1\ndirect\n0.131218 0.061018 0.004471 Mg\n0.487533 0.348423 0.225366 Mg\n0.843824 0.635948 0.446179 Mg\n-0.012461 0.348469 0.225351 N\n",
"nsites": 4,
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"elements": [
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"density": 2.136335940055818,
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"volume": 67.56281906745151,
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"formula_full": "Mg3 N1",
"formula_reduced": "Mg3N",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5330000999999999,
"spacegroup": 65
}
]
}