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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1519",
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"results": [
{
"id": "jvasp-107632",
"created_at": "2022-09-04T14:36:54.418066Z",
"updated_at": "2022-09-04T14:36:54.418087Z",
"structure_string": "Rb3 Sc1 Cl6\n1.0\n6.729412 -0.000000 3.885228\n2.243137 6.344550 3.885228\n-0.000000 -0.000000 7.770455\nRb Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Sc\n0.774508 0.225492 0.225492 Cl\n0.225492 0.225492 0.774509 Cl\n0.225492 0.774508 0.774509 Cl\n0.225492 0.774508 0.225492 Cl\n0.774508 0.225492 0.774509 Cl\n0.774508 0.774508 0.225493 Cl\n",
"nsites": 10,
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"elements": [
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],
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"volume": 331.7602825951036,
"volume_molar": 19.97907120365092,
"formula_full": "Rb3 Sc1 Cl6",
"formula_reduced": "Rb3ScCl6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-102615",
"created_at": "2022-09-04T14:36:49.523096Z",
"updated_at": "2022-09-04T14:36:49.523107Z",
"structure_string": "Rb2 Sc2 Cl6\n1.0\n7.220611 -0.000000 0.000000\n-3.610305 6.253233 0.000000\n-0.000000 -0.000000 5.848390\nRb Sc Cl\n2 2 6\ndirect\n0.333333 0.666666 0.750000 Rb\n0.666666 0.333333 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.170105 0.340211 0.250000 Cl\n0.829894 0.659789 0.750000 Cl\n0.659788 0.829895 0.250000 Cl\n0.340211 0.170105 0.750000 Cl\n0.170104 0.829895 0.250000 Cl\n0.829895 0.170105 0.750000 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 264.0674584819671,
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"formula_full": "Rb2 Sc2 Cl6",
"formula_reduced": "RbScCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 194
},
{
"id": "jvasp-107631",
"created_at": "2022-09-04T14:36:53.710300Z",
"updated_at": "2022-09-04T14:36:53.710320Z",
"structure_string": "Rb3 Sc1 Br6\n1.0\n7.093460 -0.000000 4.095411\n2.364487 6.687779 4.095411\n-0.000000 -0.000000 8.190823\nRb Sc Br\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.772313 0.227687 0.227686 Br\n0.227687 0.227687 0.772313 Br\n0.227687 0.772313 0.772313 Br\n0.227687 0.772313 0.227686 Br\n0.772313 0.227687 0.772313 Br\n0.772314 0.772313 0.227686 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
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"Br"
],
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"density": 3.3366606634909846,
"density_atomic": 0.02573548881234504,
"volume": 388.5684889421299,
"volume_molar": 23.400141353100096,
"formula_full": "Rb3 Sc1 Br6",
"formula_reduced": "Rb3ScBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10571",
"created_at": "2022-09-04T14:37:15.302444Z",
"updated_at": "2022-09-04T14:37:15.302452Z",
"structure_string": "Rb2 Sb4 Se8\n1.0\n6.473446 0.147010 -0.005126\n1.835547 6.891353 -0.052938\n0.816405 1.464322 9.575227\nRb Sb Se\n2 4 8\ndirect\n0.175400 0.185223 0.560155 Rb\n0.824601 0.814776 0.439845 Rb\n0.844072 0.812856 0.955276 Sb\n0.155929 0.187144 0.044724 Sb\n0.446196 0.598505 0.167275 Sb\n0.553805 0.401494 0.832725 Sb\n0.228302 0.852447 0.880265 Se\n0.771698 0.147552 0.119735 Se\n0.320611 0.933091 0.273628 Se\n0.679390 0.066908 0.726372 Se\n0.390971 0.600292 0.584256 Se\n0.609030 0.399707 0.415744 Se\n0.084934 0.491330 0.212880 Se\n0.915067 0.508670 0.787120 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Sb",
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],
"chemical_system": "Rb-Sb-Se",
"density": 5.037868249468242,
"density_atomic": 0.03293456984544072,
"volume": 425.0852543604143,
"volume_molar": 18.285165976848706,
"formula_full": "Rb2 Sb4 Se8",
"formula_reduced": "Rb(SbSe2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 2
},
{
"id": "jvasp-21022",
"created_at": "2022-09-04T14:37:45.572364Z",
"updated_at": "2022-09-04T14:37:45.572391Z",
"structure_string": "Rb4 Sb12 Se20\n1.0\n0.000000 8.735551 0.093966\n13.020719 0.000000 0.000000\n0.000000 -7.629945 -9.745382\nRb Sb Se\n4 12 20\ndirect\n0.322328 0.750488 0.700197 Rb\n0.677672 0.250487 0.799802 Rb\n0.677672 0.249513 0.299803 Rb\n0.322328 0.749513 0.200197 Rb\n0.735319 0.899398 0.125545 Sb\n0.264681 0.399398 0.374454 Sb\n0.264681 0.100602 0.874454 Sb\n0.134755 0.437312 0.957165 Sb\n0.865245 0.937312 0.542834 Sb\n0.735319 0.600602 0.625545 Sb\n0.134755 0.062688 0.457165 Sb\n0.181220 0.460290 0.677951 Sb\n0.818780 0.960290 0.822049 Sb\n0.818780 0.539710 0.322049 Sb\n0.181220 0.039710 0.177951 Sb\n0.865244 0.562688 0.042835 Sb\n0.897476 0.127014 0.643732 Se\n0.597003 0.982293 0.283877 Se\n0.402997 0.482293 0.216123 Se\n0.370666 0.357731 0.911901 Se\n0.629334 0.857731 0.588098 Se\n0.629333 0.642269 0.088098 Se\n0.370666 0.142269 0.411901 Se\n0.102524 0.627014 0.856268 Se\n0.897476 0.372986 0.143732 Se\n0.178210 0.309278 0.536399 Se\n0.813600 0.408495 0.600243 Se\n0.186400 0.908495 0.899756 Se\n0.186399 0.591505 0.399756 Se\n0.813600 0.091505 0.100243 Se\n0.821790 0.690722 0.463601 Se\n0.178210 0.190722 0.036399 Se\n0.597003 0.517707 0.783877 Se\n0.821790 0.809278 0.963601 Se\n0.102524 0.872986 0.356268 Se\n0.402997 0.017707 0.716123 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Sb",
"Se"
],
"chemical_system": "Rb-Sb-Se",
"density": 5.1097085417295816,
"density_atomic": 0.032753021984509245,
"volume": 1099.1352192486677,
"volume_molar": 18.386519457191493,
"formula_full": "Rb4 Sb12 Se20",
"formula_reduced": "RbSb3Se5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.373477237037037,
"spacegroup": 14
},
{
"id": "jvasp-22941",
"created_at": "2022-09-04T14:38:27.144167Z",
"updated_at": "2022-09-04T14:38:27.144185Z",
"structure_string": "Rb12 Sb4 Se16\n1.0\n9.867333 0.000000 0.000000\n-0.000000 10.243874 0.000000\n0.000000 0.000000 11.466230\nRb Sb Se\n12 4 16\ndirect\n0.937618 0.305150 0.955316 Rb\n0.437618 0.194850 0.955316 Rb\n0.562382 0.805150 0.455316 Rb\n0.062382 0.694850 0.044684 Rb\n0.139526 0.912312 0.750000 Rb\n0.639526 0.587687 0.750000 Rb\n0.360474 0.412312 0.250000 Rb\n0.860474 0.087687 0.250000 Rb\n0.062382 0.694850 0.455316 Rb\n0.437618 0.194850 0.544684 Rb\n0.562382 0.805150 0.044684 Rb\n0.937618 0.305150 0.544684 Rb\n0.723231 0.022035 0.750000 Sb\n0.223231 0.477964 0.750000 Sb\n0.776769 0.522035 0.250000 Sb\n0.276769 0.977964 0.250000 Sb\n0.819528 0.763854 0.250000 Se\n0.180472 0.236146 0.750000 Se\n0.004175 0.405910 0.250000 Se\n0.504175 0.094090 0.250000 Se\n0.495825 0.905910 0.750000 Se\n-0.004175 0.594090 0.750000 Se\n0.646785 0.466952 0.432837 Se\n0.146785 0.033048 0.067163 Se\n0.353214 0.533047 0.932837 Se\n0.353214 0.533047 0.567163 Se\n0.853214 0.966952 0.932837 Se\n0.146785 0.033048 0.432837 Se\n0.646785 0.466952 0.067163 Se\n0.319528 0.736146 0.250000 Se\n0.853214 0.966952 0.567163 Se\n0.680472 0.263854 0.750000 Se\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Rb-Sb-Se",
"density": 3.9772787058252574,
"density_atomic": 0.02760993069083816,
"volume": 1159.0032716242422,
"volume_molar": 21.811502634442814,
"formula_full": "Rb12 Sb4 Se16",
"formula_reduced": "Rb3SbSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.5217461958333334,
"spacegroup": 62
},
{
"id": "jvasp-49391",
"created_at": "2022-09-04T14:37:03.878048Z",
"updated_at": "2022-09-04T14:37:03.878062Z",
"structure_string": "Rb12 Sb4 Se12\n1.0\n10.128994 0.000000 -0.000000\n-0.000000 10.128994 0.000000\n0.000000 0.000000 10.128994\nRb Sb Se\n12 4 12\ndirect\n0.320366 0.320366 0.320366 Rb\n0.179633 0.679633 0.820366 Rb\n0.820366 0.179633 0.679633 Rb\n0.679633 0.820366 0.179633 Rb\n0.572586 0.572586 0.572586 Rb\n0.927413 0.427414 0.072586 Rb\n0.072586 0.927413 0.427414 Rb\n0.427414 0.072586 0.927413 Rb\n0.812487 0.812487 0.812487 Rb\n0.687512 0.187512 0.312488 Rb\n0.312488 0.687512 0.187512 Rb\n0.187512 0.312488 0.687512 Rb\n0.969865 0.530134 0.469865 Sb\n0.530134 0.469865 0.969865 Sb\n0.469865 0.969865 0.530134 Sb\n0.030134 0.030134 0.030134 Sb\n0.215220 0.605151 0.497123 Se\n0.497123 0.215220 0.605151 Se\n0.605151 0.497123 0.215220 Se\n0.894849 0.502877 0.715220 Se\n0.997123 0.284780 0.394849 Se\n0.394849 0.997123 0.284780 Se\n0.002877 0.784780 0.105151 Se\n0.502877 0.715220 0.894849 Se\n0.105151 0.002877 0.784780 Se\n0.715220 0.894849 0.502877 Se\n0.784780 0.105151 0.002877 Se\n0.284780 0.394849 0.997123 Se\n",
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],
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"density_atomic": 0.026943815112514733,
"volume": 1039.199529950556,
"volume_molar": 22.35073516817173,
"formula_full": "Rb12 Sb4 Se12",
"formula_reduced": "Rb3SbSe3",
"formula_anonymous": "AB3C3",
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"spacegroup": 198
},
{
"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",
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],
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"volume": 795.121391385351,
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"formula_full": "Rb4 Sb8 S14",
"formula_reduced": "Rb2Sb4S7",
"formula_anonymous": "A2B4C7",
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},
{
"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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],
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"density_atomic": 0.03351203110642156,
"volume": 477.44047351800435,
"volume_molar": 17.970085850290467,
"formula_full": "Rb4 Sb4 S8",
"formula_reduced": "RbSbS2",
"formula_anonymous": "ABC2",
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"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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],
"chemical_system": "Rb-S-Sb",
"density": 3.92296727369026,
"density_atomic": 0.034803937516854566,
"volume": 747.0419112035509,
"volume_molar": 17.303044395720015,
"formula_full": "Rb4 Sb8 S14",
"formula_reduced": "Rb2Sb4S7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 1.636764953846154,
"spacegroup": 14
},
{
"id": "jvasp-50896",
"created_at": "2022-09-04T14:37:09.219949Z",
"updated_at": "2022-09-04T14:37:09.219972Z",
"structure_string": "Rb6 Sb2 O6\n1.0\n3.938156 5.459462 0.779258\n-3.938156 5.459462 -0.779258\n-0.236216 0.000000 7.684903\nRb Sb O\n6 2 6\ndirect\n0.316104 0.683896 0.648789 Rb\n0.807628 0.807628 0.500000 Rb\n0.192371 0.192372 0.500000 Rb\n0.208242 0.208242 0.000000 Rb\n0.791757 0.791757 -0.000000 Rb\n0.683896 0.316104 0.351211 Rb\n0.280998 0.719002 0.165210 Sb\n0.719001 0.280998 0.834790 Sb\n0.966479 0.033520 0.760284 O\n0.212710 0.511298 0.301951 O\n0.488702 0.787289 0.301951 O\n0.511297 0.212711 0.698049 O\n0.787289 0.488703 0.698049 O\n0.033520 0.966480 0.239716 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "O-Rb-Sb",
"density": 4.257050496932464,
"density_atomic": 0.042109824363974334,
"volume": 332.4639846272367,
"volume_molar": 14.301035093254969,
"formula_full": "Rb6 Sb2 O6",
"formula_reduced": "Rb3SbO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.749420942857143,
"spacegroup": 12
},
{
"id": "jvasp-121956",
"created_at": "2022-09-04T14:38:53.957734Z",
"updated_at": "2022-09-04T14:38:53.957759Z",
"structure_string": "Rb8 Sb1 O3\n1.0\n7.300421 -0.000000 0.000000\n0.000000 7.300421 0.000000\n-0.000000 -0.000000 7.300421\nRb Sb O\n8 1 3\ndirect\n0.269688 0.269688 0.269688 Rb\n0.730312 0.730312 0.269688 Rb\n0.730312 0.269688 0.730312 Rb\n0.269688 0.730312 0.730312 Rb\n0.269688 0.269688 0.730312 Rb\n0.730312 0.730312 0.730312 Rb\n0.730312 0.269688 0.269688 Rb\n0.269688 0.730312 0.269688 Rb\n0.000000 0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Sb",
"O"
],
"chemical_system": "O-Rb-Sb",
"density": 3.6425809428211435,
"density_atomic": 0.030841644645512516,
"volume": 389.0843091516525,
"volume_molar": 19.526003976821727,
"formula_full": "Rb8 Sb1 O3",
"formula_reduced": "Rb8SbO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.0697772166666666,
"spacegroup": 221
}
]
}