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{
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"results": [
{
"id": "jvasp-37114",
"created_at": "2022-09-04T14:38:07.287483Z",
"updated_at": "2022-09-04T14:38:07.287506Z",
"structure_string": "Rb1 Sm1 Te2\n1.0\n-2.283556 -3.955236 -0.000000\n-4.567113 -0.000000 -0.000000\n-2.283556 -1.318412 -8.465155\nRb Sm Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500001 0.500000 Sm\n0.764698 0.764698 0.705906 Te\n0.235303 0.235303 0.294093 Te\n",
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"elements": [
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"density": 5.332195997905443,
"density_atomic": 0.026158384409511803,
"volume": 152.91464248631144,
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{
"id": "jvasp-38201",
"created_at": "2022-09-04T14:35:54.598230Z",
"updated_at": "2022-09-04T14:35:54.598256Z",
"structure_string": "Rb3 Sn1\n1.0\n0.000000 4.545563 4.545563\n4.545563 -0.000000 4.545563\n4.545563 4.545563 0.000000\nRb Sn\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Sn\n",
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"volume": 187.84214532455147,
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"formula_full": "Rb3 Sn1",
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"spacegroup": 225
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{
"id": "jvasp-122571",
"created_at": "2022-09-04T14:38:54.680976Z",
"updated_at": "2022-09-04T14:38:54.681007Z",
"structure_string": "Rb1 Sn7\n1.0\n7.155176 -0.000000 -0.000000\n0.000000 7.155176 0.000000\n0.000000 0.000000 7.155176\nRb Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Rb\n0.320940 0.320940 0.820940 Sn\n0.000000 0.500000 0.000000 Sn\n0.320940 0.679061 0.179061 Sn\n0.500000 0.000000 0.000000 Sn\n0.679061 0.320940 0.179061 Sn\n0.500000 0.500000 0.500000 Sn\n0.679061 0.679061 0.820940 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density_atomic": 0.02183881274693632,
"volume": 366.3202799851053,
"volume_molar": 27.575403616411435,
"formula_full": "Rb1 Sn7",
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"formula_anonymous": "AB7",
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"spacegroup": 215
},
{
"id": "jvasp-12925",
"created_at": "2022-09-04T14:37:12.118024Z",
"updated_at": "2022-09-04T14:37:12.118050Z",
"structure_string": "Rb4 Sn2 Te10\n1.0\n7.823149 -0.000000 -3.826935\n-1.872063 7.595857 -3.826935\n0.027198 0.034715 9.965240\nRb Sn Te\n4 2 10\ndirect\n0.246625 0.246625 0.493251 Rb\n0.746625 0.746625 0.493252 Rb\n0.996642 0.996641 0.993283 Rb\n0.496642 0.496641 0.993283 Rb\n0.746662 0.246662 0.493325 Sn\n0.246663 0.746662 0.493325 Sn\n0.454081 0.954080 0.266393 Te\n0.312313 0.454080 0.266393 Te\n0.954081 0.812313 0.266394 Te\n0.812313 0.312312 0.266393 Te\n0.180908 0.680907 0.720141 Te\n0.039233 0.180907 0.720140 Te\n0.680908 0.539233 0.720141 Te\n0.539233 0.039233 0.720140 Te\n0.496639 0.996639 0.993279 Te\n0.996639 0.496638 0.993278 Te\n",
"nsites": 16,
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"elements": [
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"Sn",
"Te"
],
"chemical_system": "Rb-Sn-Te",
"density": 5.184337178948586,
"density_atomic": 0.02692477234816308,
"volume": 594.2482927285209,
"volume_molar": 22.366542907505234,
"formula_full": "Rb4 Sn2 Te10",
"formula_reduced": "Rb2SnTe5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.3799638166666667,
"spacegroup": 140
},
{
"id": "jvasp-38294",
"created_at": "2022-09-04T14:37:27.531807Z",
"updated_at": "2022-09-04T14:37:27.531844Z",
"structure_string": "Rb1 Sr3\n1.0\n-0.000000 4.888298 4.888298\n4.888298 -0.000000 4.888298\n4.888298 4.888298 0.000000\nRb Sr\n1 3\ndirect\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Sr"
],
"chemical_system": "Rb-Sr",
"density": 2.4759063760380307,
"density_atomic": 0.017122097874743475,
"volume": 233.6162326171686,
"volume_molar": 35.17174591603731,
"formula_full": "Rb1 Sr3",
"formula_reduced": "RbSr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0013075,
"spacegroup": 225
},
{
"id": "jvasp-38288",
"created_at": "2022-09-04T14:38:00.581385Z",
"updated_at": "2022-09-04T14:38:00.581411Z",
"structure_string": "Rb1 Sr3\n1.0\n6.156973 0.000000 -0.000000\n0.000000 6.156973 -0.000000\n0.000000 0.000000 6.156973\nRb Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Rb-Sr",
"density": 2.478195060466738,
"density_atomic": 0.017137925241711784,
"volume": 233.4004813058963,
"volume_molar": 35.1392637968964,
"formula_full": "Rb1 Sr3",
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"formula_anonymous": "AB3",
"energy_above_hull": 0.0007,
"spacegroup": 221
},
{
"id": "jvasp-38204",
"created_at": "2022-09-04T14:38:14.478641Z",
"updated_at": "2022-09-04T14:38:14.478659Z",
"structure_string": "Rb3 Sr1\n1.0\n6.721204 -0.000000 -0.000000\n-0.000000 6.721204 0.000000\n-0.000000 0.000000 6.721204\nRb Sr\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Rb-Sr",
"density": 1.88146372573024,
"density_atomic": 0.013174033388539381,
"volume": 303.62758936680393,
"volume_molar": 45.71220204465932,
"formula_full": "Rb3 Sr1",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-38295",
"created_at": "2022-09-04T14:37:54.165296Z",
"updated_at": "2022-09-04T14:37:54.165312Z",
"structure_string": "Rb1 Sr3\n1.0\n-3.074548 3.074548 6.158841\n3.074548 -3.074548 6.158841\n3.074548 3.074548 -6.158841\nRb Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.499999 Sr\n0.250000 0.750000 0.499999 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Rb-Sr",
"density": 2.4837946963287933,
"density_atomic": 0.017176649449630526,
"volume": 232.87428737075618,
"volume_molar": 35.0600434482846,
"formula_full": "Rb1 Sr3",
"formula_reduced": "RbSr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-10700",
"created_at": "2022-09-04T14:36:50.428887Z",
"updated_at": "2022-09-04T14:36:50.428897Z",
"structure_string": "Rb4 Sb4 S8\n1.0\n6.491006 0.033948 -0.009967\n-1.594842 6.288621 -0.058588\n-2.237680 -2.614831 11.709564\nRb Sb S\n4 4 8\ndirect\n0.637162 0.759647 0.469128 Rb\n0.504552 0.109274 0.160913 Rb\n0.969157 0.150573 0.895191 Rb\n0.172318 0.718188 0.734820 Rb\n0.653360 0.629014 0.968254 Sb\n0.057778 0.218298 0.401687 Sb\n0.083739 0.650943 0.228270 Sb\n0.487887 0.239537 0.661646 Sb\n0.048260 0.259238 0.180318 S\n0.093553 0.610021 0.449742 S\n0.497815 0.234755 0.906531 S\n0.448043 0.221794 0.437127 S\n0.643634 0.633785 0.723494 S\n0.091146 0.192027 0.633774 S\n0.050192 0.676789 0.996217 S\n0.693410 0.647117 0.192881 S\n",
"nsites": 16,
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"elements": [
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"Sb",
"S"
],
"chemical_system": "Rb-S-Sb",
"density": 3.7751322137094623,
"density_atomic": 0.03351203110642156,
"volume": 477.44047351800435,
"volume_molar": 17.970085850290467,
"formula_full": "Rb4 Sb4 S8",
"formula_reduced": "RbSbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.907676525,
"spacegroup": 2
},
{
"id": "jvasp-21248",
"created_at": "2022-09-04T14:36:38.111651Z",
"updated_at": "2022-09-04T14:36:38.111680Z",
"structure_string": "Rb4 Sb8 S14\n1.0\n0.000000 7.100730 -0.053892\n12.462921 0.000000 0.000000\n0.000000 -6.655600 -8.391035\nRb Sb S\n4 8 14\ndirect\n0.149867 0.437019 0.852868 Rb\n0.149867 0.062981 0.352868 Rb\n0.850133 0.562981 0.147132 Rb\n0.850132 0.937019 0.647131 Rb\n0.594519 0.363232 0.347982 Sb\n0.405481 0.863232 0.152017 Sb\n0.405481 0.636768 0.652017 Sb\n0.594518 0.136768 0.847982 Sb\n0.672312 0.654904 0.451353 Sb\n0.672311 0.845096 0.951353 Sb\n0.327688 0.345096 0.548646 Sb\n0.327688 0.154904 0.048646 Sb\n0.319763 0.699096 0.830334 S\n0.829653 0.728675 0.850150 S\n0.170346 0.228675 0.649849 S\n0.680237 0.300904 0.169665 S\n0.319763 0.800904 0.330334 S\n0.680236 0.199096 0.669665 S\n0.170346 0.271324 0.149850 S\n0.000000 0.000000 0.000000 S\n0.380102 0.962513 0.718183 S\n0.380103 0.537487 0.218184 S\n0.619897 0.037487 0.281816 S\n0.829654 0.771324 0.350150 S\n-0.000000 0.500000 0.500000 S\n0.619897 0.462513 0.781816 S\n",
"nsites": 26,
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"elements": [
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],
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"density": 3.92296727369026,
"density_atomic": 0.034803937516854566,
"volume": 747.0419112035509,
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"formula_full": "Rb4 Sb8 S14",
"formula_reduced": "Rb2Sb4S7",
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},
{
"id": "jvasp-57094",
"created_at": "2022-09-04T14:37:01.223664Z",
"updated_at": "2022-09-04T14:37:01.223690Z",
"structure_string": "Rb4 Sb8 S14\n1.0\n-7.451904 -0.087444 -0.045690\n2.234684 9.381099 -0.177731\n-0.543869 -1.820371 -11.372077\nRb Sb S\n4 8 14\ndirect\n0.287116 0.331923 0.107732 Rb\n0.418896 0.724446 0.559106 Rb\n0.581105 0.275555 0.440894 Rb\n0.712885 0.668077 0.892268 Rb\n0.501220 0.804090 0.233896 Sb\n0.862024 0.562783 0.187593 Sb\n0.959658 0.044258 0.659483 Sb\n0.256184 0.865006 0.950520 Sb\n0.743816 0.134995 0.049480 Sb\n0.137977 0.437217 0.812407 Sb\n0.040342 0.955743 0.340517 Sb\n0.498780 0.195910 0.766104 Sb\n0.945527 0.299625 0.641768 S\n0.762540 0.979132 0.458734 S\n0.110276 0.678026 0.767476 S\n0.889724 0.321975 0.232524 S\n0.553391 0.936810 0.843850 S\n0.446610 0.063191 0.156150 S\n0.818522 0.867935 0.145448 S\n0.054473 0.700376 0.358232 S\n0.237460 0.020869 0.541266 S\n0.439968 0.438612 0.706592 S\n0.669226 0.335874 0.948533 S\n0.560032 0.561389 0.293408 S\n0.330775 0.664127 0.051467 S\n0.181479 0.132065 0.854552 S\n",
"nsites": 26,
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"elements": [
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],
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"volume": 795.121391385351,
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"formula_full": "Rb4 Sb8 S14",
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},
{
"id": "jvasp-24312",
"created_at": "2022-09-04T14:38:19.903572Z",
"updated_at": "2022-09-04T14:38:19.903594Z",
"structure_string": "Rb1 U2 Sb1 S8\n1.0\n6.541530 -0.036213 -1.077850\n-2.365494 6.098964 -1.077850\n0.055198 0.080136 7.480362\nRb U Sb S\n1 2 1 8\ndirect\n0.547800 0.547799 0.160232 Rb\n0.415454 0.914993 0.663887 U\n0.914993 0.415453 0.663887 U\n0.002907 0.002907 0.003051 Sb\n0.258260 0.466724 0.479208 S\n0.720475 0.012325 0.464975 S\n0.740525 0.228309 0.928615 S\n0.696954 0.696953 0.787050 S\n0.012325 0.720474 0.464975 S\n0.198582 0.198582 0.791598 S\n0.466724 0.258260 0.479208 S\n0.228308 0.740524 0.928615 S\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.220492199849644,
"density_atomic": 0.04014260592505215,
"volume": 298.93425510054027,
"volume_molar": 15.001868018343348,
"formula_full": "Rb1 U2 Sb1 S8",
"formula_reduced": "RbU2SbS8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.7358223416666667,
"spacegroup": 8
}
]
}