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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1524",
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"results": [
{
"id": "jvasp-102425",
"created_at": "2022-09-04T14:36:49.689018Z",
"updated_at": "2022-09-04T14:36:49.689043Z",
"structure_string": "Rb3 Pr1 Cl6\n1.0\n7.065990 -0.000000 4.079551\n2.355330 6.661879 4.079551\n-0.000000 -0.000000 8.159102\nRb Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pr\n0.763093 0.236907 0.236906 Cl\n0.236906 0.236906 0.763092 Cl\n0.236906 0.763093 0.763092 Cl\n0.236906 0.763094 0.236906 Cl\n0.763093 0.236907 0.763093 Cl\n0.763094 0.763094 0.236906 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Pr-Rb",
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"volume": 384.07153507709876,
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"formula_full": "Rb3 Pr1 Cl6",
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{
"id": "jvasp-92678",
"created_at": "2022-09-04T14:36:21.493825Z",
"updated_at": "2022-09-04T14:36:21.493857Z",
"structure_string": "Rb2 Pd1 Se2\n1.0\n0.000000 -0.000000 3.834337\n-5.051680 3.795546 1.917168\n-5.051680 -3.795546 1.917168\nRb Pd Se\n2 1 2\ndirect\n0.195567 0.304433 0.304433 Rb\n0.804434 0.695567 0.695567 Rb\n0.000000 0.000000 0.000000 Pd\n0.500001 0.216416 0.783584 Se\n0.500001 0.783584 0.216416 Se\n",
"nsites": 5,
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"elements": [
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"Pd",
"Se"
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"volume": 147.0382643085959,
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"formula_full": "Rb2 Pd1 Se2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-3159",
"created_at": "2022-09-04T14:35:51.317652Z",
"updated_at": "2022-09-04T14:35:51.317684Z",
"structure_string": "Rb2 Pd3 S4\n1.0\n6.056576 -0.013619 -1.330118\n-3.369496 5.032626 -1.330058\n-0.028639 -0.053421 7.292227\nRb Pd S\n2 3 4\ndirect\n0.842515 0.842515 0.685030 Rb\n0.157486 0.157486 0.314970 Rb\n0.500000 -0.000000 -0.000000 Pd\n0.500000 0.500000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.214481 0.550076 0.764552 S\n0.449929 0.785524 0.235448 S\n0.550071 0.214477 0.764552 S\n0.785519 0.449924 0.235448 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
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],
"chemical_system": "Pd-Rb-S",
"density": 4.64536684229515,
"density_atomic": 0.04071035611000228,
"volume": 221.07396888598467,
"volume_molar": 14.792650655591778,
"formula_full": "Rb2 Pd3 S4",
"formula_reduced": "Rb2Pd3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.318354122222222,
"spacegroup": 69
},
{
"id": "jvasp-112562",
"created_at": "2022-09-04T14:38:41.502439Z",
"updated_at": "2022-09-04T14:38:41.502455Z",
"structure_string": "Rb4 Pd6 S8\n1.0\n13.374567 -0.085731 4.709317\n12.328629 5.189562 1.535395\n-0.001456 0.007343 6.244712\nRb Pd S\n4 6 8\ndirect\n0.078222 0.078222 0.921778 Rb\n0.921778 0.921778 0.078222 Rb\n0.171778 0.171778 0.328222 Rb\n0.328222 0.328222 0.171778 Rb\n0.999538 0.999537 0.500462 Pd\n0.250463 0.250462 0.749537 Pd\n0.500463 0.500462 0.999537 Pd\n0.750000 0.749999 0.749999 Pd\n0.500000 0.500000 0.500000 Pd\n0.749537 0.749537 0.250462 Pd\n0.972155 0.646427 0.859848 S\n0.603573 0.277846 0.728431 S\n0.728431 0.390151 0.603573 S\n0.277846 0.603573 0.390151 S\n0.390151 0.728431 0.277845 S\n0.646428 0.972154 0.521568 S\n0.521569 0.859848 0.646426 S\n0.859849 0.521568 0.972154 S\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Pd-Rb-S",
"density": 4.664381309022204,
"density_atomic": 0.04087699218805155,
"volume": 440.34551067731076,
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"formula_full": "Rb4 Pd6 S8",
"formula_reduced": "Rb2Pd3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.3169019,
"spacegroup": 70
},
{
"id": "jvasp-115302",
"created_at": "2022-09-04T14:38:44.717794Z",
"updated_at": "2022-09-04T14:38:44.717806Z",
"structure_string": "Rb2 Pd1 O2\n1.0\n-2.076851 2.076851 6.787700\n2.076851 -2.076851 6.787700\n2.076851 2.076851 -6.787700\nRb Pd O\n2 1 2\ndirect\n0.348681 0.348681 0.000000 Rb\n0.651318 0.651318 0.000000 Rb\n0.000000 0.000000 0.000000 Pd\n0.862163 0.862163 0.000000 O\n0.137837 0.137837 0.000000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.386438900337681,
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"volume": 117.10981921691811,
"volume_molar": 14.105036314048675,
"formula_full": "Rb2 Pd1 O2",
"formula_reduced": "Rb2PdO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-38299",
"created_at": "2022-09-04T14:37:58.882786Z",
"updated_at": "2022-09-04T14:37:58.882813Z",
"structure_string": "Rb1 Pd1 O3\n1.0\n4.061662 0.000000 0.000000\n-0.000000 4.061662 -0.000000\n0.000000 -0.000000 4.061465\nRb Pd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.499999 Pd\n0.000000 0.500000 0.499999 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.499999 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 5.94516244365746,
"density_atomic": 0.07462420710075496,
"volume": 67.00238694997694,
"volume_molar": 8.069956109374964,
"formula_full": "Rb1 Pd1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-97378",
"created_at": "2022-09-04T14:35:41.460458Z",
"updated_at": "2022-09-04T14:35:41.460491Z",
"structure_string": "Rb8 Pd4 I24\n1.0\n7.843872 0.000000 0.000000\n0.000000 12.306037 0.000000\n0.000000 0.000000 14.515626\nRb Pd I\n8 4 24\ndirect\n0.287652 0.007057 0.860461 Rb\n0.787652 0.492943 0.639540 Rb\n0.712348 0.507057 0.139539 Rb\n0.212348 0.992944 0.360461 Rb\n0.712348 0.992944 0.139539 Rb\n0.212348 0.507057 0.360461 Rb\n0.287652 0.492943 0.860461 Rb\n0.787652 0.007057 0.639540 Rb\n0.732724 0.750000 0.398702 Pd\n0.232724 0.750000 0.101298 Pd\n0.267276 0.250000 0.601299 Pd\n0.767276 0.250000 0.898702 Pd\n0.040616 0.250000 0.789568 I\n0.227940 0.531261 0.106261 I\n0.727940 0.968739 0.393739 I\n0.227940 0.968739 0.106261 I\n0.727940 0.531261 0.393739 I\n0.772059 0.468739 0.893739 I\n0.272060 0.031261 0.606261 I\n0.459383 0.750000 0.289568 I\n0.959383 0.750000 0.210432 I\n0.540616 0.250000 0.710432 I\n0.034815 0.750000 0.491618 I\n0.985436 0.250000 0.282738 I\n0.965185 0.250000 0.508382 I\n0.465185 0.250000 0.991618 I\n0.014563 0.750000 0.717263 I\n0.514563 0.750000 0.782738 I\n0.272060 0.468739 0.606261 I\n0.485437 0.250000 0.217262 I\n0.044700 0.750000 0.919285 I\n0.544699 0.750000 0.580715 I\n0.955300 0.250000 0.080715 I\n0.455300 0.250000 0.419285 I\n0.534815 0.750000 0.008382 I\n0.772059 0.031261 0.893739 I\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Pd",
"I"
],
"chemical_system": "I-Pd-Rb",
"density": 4.924353202910906,
"density_atomic": 0.02569318927742448,
"volume": 1401.1495268760457,
"volume_molar": 23.438665768485972,
"formula_full": "Rb8 Pd4 I24",
"formula_reduced": "Rb2PdI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-51053",
"created_at": "2022-09-04T14:37:30.473659Z",
"updated_at": "2022-09-04T14:37:30.473687Z",
"structure_string": "Rb2 Pd1 I6\n1.0\n6.831520 -0.000000 3.944180\n2.277173 6.440819 3.944180\n-0.000000 -0.000000 7.888359\nRb Pd I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Pd\n0.755972 0.755972 0.244028 I\n0.755972 0.244028 0.244028 I\n0.244027 0.755972 0.244028 I\n0.244027 0.755972 0.755972 I\n0.244028 0.244028 0.755972 I\n0.755972 0.244028 0.755972 I\n",
"nsites": 9,
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"elements": [
"Rb",
"Pd",
"I"
],
"chemical_system": "I-Pd-Rb",
"density": 4.969681800699587,
"density_atomic": 0.0259296947015229,
"volume": 347.09240134136303,
"volume_molar": 23.224881084490008,
"formula_full": "Rb2 Pd1 I6",
"formula_reduced": "Rb2PdI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0022888888888888,
"spacegroup": 225
},
{
"id": "jvasp-95640",
"created_at": "2022-09-04T14:36:32.185471Z",
"updated_at": "2022-09-04T14:36:32.185488Z",
"structure_string": "Rb2 Pd4 F10\n1.0\n5.680216 0.000000 2.739786\n1.930803 6.263174 3.255096\n-0.028772 -0.026850 7.317749\nRb Pd F\n2 4 10\ndirect\n0.607090 0.142911 0.642911 Rb\n0.392911 0.857089 0.357090 Rb\n0.000000 0.500000 0.500001 Pd\n0.000000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.000001 Pd\n0.850213 0.450733 0.312088 F\n0.613034 0.549266 0.687913 F\n0.149788 0.187912 0.049267 F\n0.386967 0.812087 0.950734 F\n0.149788 0.549266 0.687913 F\n0.386967 0.450733 0.312088 F\n0.902333 0.847667 0.347669 F\n0.097668 0.152332 0.652333 F\n0.613033 0.187912 0.049267 F\n0.850213 0.812087 0.950734 F\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.000960775700714,
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"volume": 261.18569556790146,
"volume_molar": 9.830606395052568,
"formula_full": "Rb2 Pd4 F10",
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"formula_anonymous": "AB2C5",
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"spacegroup": 74
},
{
"id": "jvasp-16122",
"created_at": "2022-09-04T14:35:55.705345Z",
"updated_at": "2022-09-04T14:35:55.705371Z",
"structure_string": "Rb1 Pd1 F3\n1.0\n4.297753 0.000000 0.000000\n-0.000000 4.297753 0.000000\n0.000000 0.000000 4.297753\nRb Pd F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 5,
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],
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"volume": 79.38242403087098,
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"formula_full": "Rb1 Pd1 F3",
"formula_reduced": "RbPdF3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-104535",
"created_at": "2022-09-04T14:36:41.098003Z",
"updated_at": "2022-09-04T14:36:41.098023Z",
"structure_string": "Rb3 Pd1 F6\n1.0\n5.644567 -0.000000 3.258892\n1.881522 5.321749 3.258892\n-0.000000 -0.000000 6.517784\nRb Pd F\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Pd\n0.778725 0.221275 0.221275 F\n0.221275 0.221275 0.778724 F\n0.221275 0.778725 0.778724 F\n0.221275 0.778725 0.221275 F\n0.778725 0.221275 0.778724 F\n0.778725 0.778725 0.221274 F\n",
"nsites": 10,
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],
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"density": 4.044016769541175,
"density_atomic": 0.05107578104857396,
"volume": 195.78751014085964,
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"formula_full": "Rb3 Pd1 F6",
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"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-3282",
"created_at": "2022-09-04T14:36:20.437685Z",
"updated_at": "2022-09-04T14:36:20.437716Z",
"structure_string": "Rb2 Pd1 F6\n1.0\n5.214361 0.000000 3.010513\n1.738120 4.916147 3.010513\n0.000000 0.000000 6.021025\nRb Pd F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Pd\n0.228001 0.771999 0.771999 F\n0.228001 0.771999 0.228001 F\n0.771998 0.228002 0.771999 F\n0.771998 0.228002 0.228001 F\n0.771998 0.771999 0.228001 F\n0.228001 0.228002 0.771999 F\n",
"nsites": 9,
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],
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"volume": 154.34635785546007,
"volume_molar": 10.32772769776569,
"formula_full": "Rb2 Pd1 F6",
"formula_reduced": "Rb2PdF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}