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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=931",
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"results": [
{
"id": "jvasp-23888",
"created_at": "2022-09-04T14:37:43.745947Z",
"updated_at": "2022-09-04T14:37:43.745973Z",
"structure_string": "Sr1 Cl2\n1.0\n4.271915 0.000000 2.466390\n1.423972 4.027599 2.466390\n0.000000 0.000000 4.932782\nSr Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n",
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"elements": [
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{
"id": "jvasp-102679",
"created_at": "2022-09-04T14:36:52.559914Z",
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"structure_string": "Sr1 Ce1 V1 O4\n1.0\n3.708763 0.058823 -5.751534\n-0.272392 3.699214 -5.751534\n-0.053788 -0.058823 6.843404\nSr Ce V O\n1 1 1 4\ndirect\n0.643760 0.643759 -0.000000 Sr\n0.356396 0.356396 -0.000000 Ce\n-0.002302 -0.002302 0.000000 V\n0.996610 0.496610 0.499999 O\n0.496610 0.996610 0.499999 O\n0.834749 0.834747 -0.000001 O\n0.174174 0.174173 -0.000000 O\n",
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"elements": [
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"volume": 91.52466889613393,
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"formula_full": "Sr1 Ce1 V1 O4",
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{
"id": "jvasp-52141",
"created_at": "2022-09-04T14:37:13.683237Z",
"updated_at": "2022-09-04T14:37:13.683248Z",
"structure_string": "Sr2 Ce4 S8\n1.0\n7.494740 0.001454 -0.001609\n-2.496876 7.065049 0.001627\n-2.500247 -3.532308 6.119045\nSr Ce S\n2 4 8\ndirect\n0.125007 0.750000 0.874998 Sr\n0.374996 0.250000 0.625008 Sr\n0.249989 0.626377 0.376379 Ce\n0.623617 0.373616 0.250011 Ce\n0.750010 0.873616 0.123618 Ce\n0.876378 0.126377 0.749990 Ce\n0.990301 0.846834 0.491371 S\n0.991370 0.346833 0.490302 S\n0.508642 0.998951 0.355485 S\n0.143448 0.153158 0.144530 S\n0.356538 0.501064 0.009687 S\n0.509686 0.001064 0.856539 S\n0.644529 0.653158 0.643449 S\n0.855484 0.498951 0.008642 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"S"
],
"chemical_system": "Ce-S-Sr",
"density": 5.084790270244096,
"density_atomic": 0.04320582031305295,
"volume": 324.0304176280261,
"volume_molar": 13.938262753411133,
"formula_full": "Sr2 Ce4 S8",
"formula_reduced": "Sr(CeS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 122
},
{
"id": "jvasp-102907",
"created_at": "2022-09-04T14:36:39.077173Z",
"updated_at": "2022-09-04T14:36:39.077195Z",
"structure_string": "Sr2 Ce2 N4\n1.0\n4.732939 0.023633 -4.188293\n-0.944804 4.637737 -4.188293\n-0.019206 -0.023633 6.319980\nSr Ce N\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750001 0.500001 Ce\n0.500001 0.500000 0.000001 Ce\n0.721984 0.721983 0.000001 N\n0.471984 0.971984 0.500002 N\n0.278017 0.278018 1.000000 N\n0.028017 0.528018 0.500001 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ce-N-Sr",
"density": 6.157829668756764,
"density_atomic": 0.05799945892998789,
"volume": 137.9323212248744,
"volume_molar": 10.383098172121615,
"formula_full": "Sr2 Ce2 N4",
"formula_reduced": "SrCeN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6355070775,
"spacegroup": 141
},
{
"id": "jvasp-1732",
"created_at": "2022-09-04T14:36:21.113046Z",
"updated_at": "2022-09-04T14:36:21.113068Z",
"structure_string": "Sr1 Ce1 N2\n1.0\n3.481487 -0.004222 5.309831\n1.582389 3.101098 5.309831\n-0.006904 -0.004222 6.349410\nSr Ce N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.499998 Ce\n0.763984 0.763984 0.763980 N\n0.236017 0.236017 0.236016 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"density": 6.177208137453452,
"density_atomic": 0.058181981143130966,
"volume": 68.74980743883185,
"volume_molar": 10.350525440488513,
"formula_full": "Sr1 Ce1 N2",
"formula_reduced": "SrCeN2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-94819",
"created_at": "2022-09-04T14:36:13.411625Z",
"updated_at": "2022-09-04T14:36:13.411652Z",
"structure_string": "Sr2 Ce2 N4\n1.0\n6.005683 0.108347 4.246546\n3.083813 3.789037 8.472356\n0.036639 0.053679 6.317848\nSr Ce N\n2 2 4\ndirect\n0.000719 0.989669 0.007987 Sr\n0.749581 0.489665 0.010257 Sr\n0.248298 0.482516 0.016325 Ce\n0.498300 0.982550 0.016198 Ce\n0.277834 0.038032 0.407438 N\n0.034674 0.488479 0.457197 N\n0.731439 0.988598 0.563323 N\n0.474514 0.537997 0.514133 N\n",
"nsites": 8,
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"elements": [
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"Ce",
"N"
],
"chemical_system": "Ce-N-Sr",
"density": 6.107357475185529,
"density_atomic": 0.05752407067217458,
"volume": 139.07221631778125,
"volume_molar": 10.468905780885594,
"formula_full": "Sr2 Ce2 N4",
"formula_reduced": "SrCeN2",
"formula_anonymous": "ABC2",
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"spacegroup": 46
},
{
"id": "jvasp-110998",
"created_at": "2022-09-04T14:38:40.054317Z",
"updated_at": "2022-09-04T14:38:40.054343Z",
"structure_string": "Sr1 Ce1 N2\n1.0\n3.693031 -0.000000 0.000000\n0.000000 3.693031 0.000000\n-0.000000 -0.000000 5.012823\nSr Ce N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 -0.000000 N\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.211771107055052,
"density_atomic": 0.058507523362344556,
"volume": 68.36727603777534,
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"formula_full": "Sr1 Ce1 N2",
"formula_reduced": "SrCeN2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-54793",
"created_at": "2022-09-04T14:38:16.259558Z",
"updated_at": "2022-09-04T14:38:16.259580Z",
"structure_string": "Sr2 Ce2 I8\n1.0\n7.376894 -0.001695 -0.000186\n-1.632882 8.419344 -0.006846\n-2.870303 -4.202032 7.413128\nSr Ce I\n2 2 8\ndirect\n0.385647 0.135645 0.271325 Sr\n0.614353 0.864354 0.728674 Sr\n0.749817 0.499810 -0.000382 Ce\n0.250182 0.500189 0.000381 Ce\n0.991756 0.258383 0.126121 I\n0.207417 0.800719 0.356230 I\n0.648741 0.555444 0.356201 I\n0.351259 0.444556 0.643798 I\n0.365696 0.132313 0.873909 I\n0.792583 0.199280 0.643770 I\n0.634304 0.867687 0.126090 I\n0.008243 0.741617 0.873878 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ce",
"I"
],
"chemical_system": "Ce-I-Sr",
"density": 5.3069774533229825,
"density_atomic": 0.026076722607435054,
"volume": 460.1805288437027,
"volume_molar": 23.093932664233478,
"formula_full": "Sr2 Ce2 I8",
"formula_reduced": "SrCeI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-105863",
"created_at": "2022-09-04T14:35:59.937664Z",
"updated_at": "2022-09-04T14:35:59.937691Z",
"structure_string": "Sr1 Ce1 Hg2\n1.0\n4.752680 0.000000 2.743961\n1.584227 4.480869 2.743961\n0.000000 0.000000 5.487921\nSr Ce Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.499999 Ce\n0.250000 0.250000 0.250000 Hg\n0.750001 0.750000 0.749999 Hg\n",
"nsites": 4,
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"elements": [
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"Ce",
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],
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"density": 8.935792362839145,
"density_atomic": 0.03422561959291658,
"volume": 116.87151460153113,
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"formula_full": "Sr1 Ce1 Hg2",
"formula_reduced": "SrCeHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-100542",
"created_at": "2022-09-04T14:36:35.323324Z",
"updated_at": "2022-09-04T14:36:35.323346Z",
"structure_string": "Sr1 Ce1 Al1 O4\n1.0\n3.605851 0.000781 -5.729004\n-0.299479 3.593393 -5.729004\n-0.000718 -0.000781 6.769317\nSr Ce Al O\n1 1 1 4\ndirect\n0.643904 0.643904 -0.000000 Sr\n0.356674 0.356674 1.000000 Ce\n0.003600 0.003600 -0.000000 Al\n0.995064 0.495065 0.500000 O\n0.495064 0.995064 0.500000 O\n0.839640 0.839639 -0.000000 O\n0.166050 0.166050 1.000000 O\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Al-Ce-O-Sr",
"density": 6.0359595598509825,
"density_atomic": 0.07983486063550382,
"volume": 87.6809947969896,
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"formula_full": "Sr1 Ce1 Al1 O4",
"formula_reduced": "SrCeAlO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6269755157142858,
"spacegroup": 107
},
{
"id": "jvasp-39512",
"created_at": "2022-09-04T14:37:48.831961Z",
"updated_at": "2022-09-04T14:37:48.831987Z",
"structure_string": "Sr1 Cd1 Si1\n1.0\n4.457547 -0.000000 2.573567\n1.485850 4.202617 2.573567\n-0.000000 -0.000000 5.147132\nSr Cd Si\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Si\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.9284818140055315,
"density_atomic": 0.031112879338255375,
"volume": 96.42309113805801,
"volume_molar": 19.3557809115898,
"formula_full": "Sr1 Cd1 Si1",
"formula_reduced": "SrCdSi",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-15808",
"created_at": "2022-09-04T14:36:57.140921Z",
"updated_at": "2022-09-04T14:36:57.140940Z",
"structure_string": "Sr1 Cd2 Sb2\n1.0\n2.388294 -4.136647 0.000000\n2.388294 4.136647 -0.000000\n-0.000000 -0.000000 7.830924\nSr Cd Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.366781 Cd\n0.666666 0.333332 0.633219 Cd\n0.333332 0.666666 0.752158 Sb\n0.666666 0.333332 0.247842 Sb\n",
"nsites": 5,
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],
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"density": 5.966435521764381,
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"volume": 154.7316848019944,
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"formula_full": "Sr1 Cd2 Sb2",
"formula_reduced": "Sr(CdSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
}
]
}