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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4390",
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"results": [
{
"id": "jvasp-18158",
"created_at": "2022-09-04T14:38:13.238334Z",
"updated_at": "2022-09-04T14:38:13.238352Z",
"structure_string": "Pu4 Pd4\n1.0\n4.792238 -0.000000 0.000000\n-0.000000 4.793126 0.000000\n0.000000 0.000000 6.780208\nPu Pd\n4 4\ndirect\n0.750000 0.999875 0.124996 Pu\n0.250000 0.000126 0.875004 Pu\n0.250000 0.500126 0.624996 Pu\n0.750000 0.499875 0.375004 Pu\n0.750000 0.999884 0.625013 Pd\n0.250000 0.000116 0.374987 Pd\n0.250000 0.500117 0.125013 Pd\n0.750000 0.499884 0.874987 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Pd"
],
"chemical_system": "Pd-Pu",
"density": 14.945062398551618,
"density_atomic": 0.05136765564874356,
"volume": 155.7400254881143,
"volume_molar": 11.723604443192649,
"formula_full": "Pu4 Pd4",
"formula_reduced": "PuPd",
"formula_anonymous": "AB",
"energy_above_hull": 2.96789285,
"spacegroup": 227
},
{
"id": "jvasp-85614",
"created_at": "2022-09-04T14:36:19.397460Z",
"updated_at": "2022-09-04T14:36:19.397476Z",
"structure_string": "Pu4 Sn2 Pd4\n1.0\n3.908820 0.000000 0.000000\n0.000000 7.599977 -0.000000\n0.000000 -0.000000 7.599977\nPu Sn Pd\n4 2 4\ndirect\n0.500000 0.175216 0.675217 Pu\n0.500000 0.324784 0.175216 Pu\n0.500000 0.824784 0.324784 Pu\n0.500000 0.675217 0.824784 Pu\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.371788 0.871788 Pd\n0.000000 0.128212 0.371788 Pd\n0.000000 0.871788 0.628212 Pd\n0.000000 0.628212 0.128212 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Sn",
"Pd"
],
"chemical_system": "Pd-Pu-Sn",
"density": 12.055474813826248,
"density_atomic": 0.04429245700847135,
"volume": 225.77207667859577,
"volume_molar": 13.59631225436017,
"formula_full": "Pu4 Sn2 Pd4",
"formula_reduced": "Pu2SnPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.052012619999999,
"spacegroup": 127
},
{
"id": "jvasp-78507",
"created_at": "2022-09-04T14:37:15.907884Z",
"updated_at": "2022-09-04T14:37:15.907906Z",
"structure_string": "Rb2 Pd1\n1.0\n-1.304984 0.000000 5.540806\n-4.571098 2.845852 1.847820\n-4.571098 -2.845852 1.847820\nRb Pd\n2 1\ndirect\n0.249997 0.249993 0.249993 Rb\n0.750004 0.750007 0.750007 Rb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Rb",
"Pd"
],
"chemical_system": "Pd-Rb",
"density": 3.531028995048745,
"density_atomic": 0.023000458952161115,
"volume": 130.43217990735445,
"volume_molar": 26.182698234524413,
"formula_full": "Rb2 Pd1",
"formula_reduced": "Rb2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 6.666666666665239e-06,
"spacegroup": 225
},
{
"id": "jvasp-99741",
"created_at": "2022-09-04T14:36:44.057191Z",
"updated_at": "2022-09-04T14:36:44.057210Z",
"structure_string": "Rb2 Pd1\n1.0\n4.979376 0.010823 2.757701\n1.714183 4.675027 2.757701\n0.100951 0.070671 5.689986\nRb Pd\n2 1\ndirect\n0.250073 0.250073 0.249971 Rb\n0.749927 0.749927 0.750030 Rb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Rb",
"Pd"
],
"chemical_system": "Pd-Rb",
"density": 3.5314892954985555,
"density_atomic": 0.02300345726274321,
"volume": 130.41517915043366,
"volume_molar": 26.17928553615096,
"formula_full": "Rb2 Pd1",
"formula_reduced": "Rb2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"S"
],
"chemical_system": "Pd-Rb-S",
"density": 4.664381309022204,
"density_atomic": 0.04087699218805155,
"volume": 440.34551067731076,
"volume_molar": 14.732348046293602,
"formula_full": "Rb4 Pd6 S8",
"formula_reduced": "Rb2Pd3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.3169019,
"spacegroup": 70
},
{
"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": [
"Rb",
"Pd",
"S"
],
"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-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,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"Se"
],
"chemical_system": "Pd-Rb-Se",
"density": 4.915673766529221,
"density_atomic": 0.034004753956468584,
"volume": 147.0382643085959,
"volume_molar": 17.709702495448973,
"formula_full": "Rb2 Pd1 Se2",
"formula_reduced": "Rb2PdSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3561864866666664,
"spacegroup": 71
},
{
"id": "jvasp-92716",
"created_at": "2022-09-04T14:36:10.885747Z",
"updated_at": "2022-09-04T14:36:10.885767Z",
"structure_string": "Rb2 Te2 Pd1\n1.0\n0.000000 0.000000 4.067807\n-5.336376 4.040892 2.033904\n-5.336376 -4.040892 2.033904\nRb Te Pd\n2 2 1\ndirect\n0.200157 0.299843 0.299843 Rb\n0.799842 0.700158 0.700158 Rb\n0.499999 0.217998 0.782003 Te\n0.499999 0.782003 0.217998 Te\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Te",
"Pd"
],
"chemical_system": "Pd-Rb-Te",
"density": 5.040806802368934,
"density_atomic": 0.028500731302348307,
"volume": 175.43409489945358,
"volume_molar": 21.12977627175415,
"formula_full": "Rb2 Te2 Pd1",
"formula_reduced": "Rb2Te2Pd",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1737962466666666,
"spacegroup": 71
},
{
"id": "jvasp-41914",
"created_at": "2022-09-04T14:37:31.316943Z",
"updated_at": "2022-09-04T14:37:31.316964Z",
"structure_string": "Re6 Pd2\n1.0\n2.786305 -4.826023 0.000000\n2.786305 4.826023 -0.000000\n0.000000 -0.000000 4.446870\nRe Pd\n6 2\ndirect\n0.839573 0.679145 0.750000 Re\n0.839573 0.160429 0.750000 Re\n0.320857 0.160428 0.750000 Re\n0.160428 0.320857 0.250000 Re\n0.160429 0.839573 0.250000 Re\n0.679145 0.839573 0.250000 Re\n0.666668 0.333334 0.250000 Pd\n0.333334 0.666668 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"Pd"
],
"chemical_system": "Pd-Re",
"density": 18.468220149910373,
"density_atomic": 0.06689405397132701,
"volume": 119.5920941408195,
"volume_molar": 9.002505308739828,
"formula_full": "Re6 Pd2",
"formula_reduced": "Re3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 5.598957424999999,
"spacegroup": 194
},
{
"id": "jvasp-41638",
"created_at": "2022-09-04T14:37:44.886585Z",
"updated_at": "2022-09-04T14:37:44.886606Z",
"structure_string": "Ti2 Re1 Pd1\n1.0\n-0.000000 3.131645 3.131645\n3.131645 0.000000 3.131645\n3.131645 3.131645 0.000000\nTi Re Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Re\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.498738957213499,
"density_atomic": 0.06511970442416667,
"volume": 61.42534023105231,
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"formula_full": "Ti2 Re1 Pd1",
"formula_reduced": "Ti2RePd",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9314750916666665,
"spacegroup": 225
},
{
"id": "jvasp-104864",
"created_at": "2022-09-04T14:36:56.741926Z",
"updated_at": "2022-09-04T14:36:56.741943Z",
"structure_string": "Pd3 Rh1\n1.0\n3.577597 0.007818 -3.172398\n-0.718704 3.504672 -3.172398\n-0.006363 -0.007818 4.781556\nPd Rh\n3 1\ndirect\n0.750001 0.250000 0.500001 Pd\n0.250001 0.749999 0.500001 Pd\n0.500001 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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],
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"density": 11.722325030009522,
"density_atomic": 0.06688703021879729,
"volume": 59.80232620457828,
"volume_molar": 9.003450654485174,
"formula_full": "Pd3 Rh1",
"formula_reduced": "Pd3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 1.985572525,
"spacegroup": 139
},
{
"id": "jvasp-110466",
"created_at": "2022-09-04T14:38:38.304505Z",
"updated_at": "2022-09-04T14:38:38.304526Z",
"structure_string": "Sc2 Pd1 Rh1\n1.0\n3.991473 -0.000000 2.304478\n1.330491 3.763196 2.304478\n0.000000 0.000000 4.608956\nSc Pd Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.750001 0.750001 Sc\n0.499999 0.500000 0.500001 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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],
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"volume": 69.22972339391616,
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"formula_full": "Sc2 Pd1 Rh1",
"formula_reduced": "Sc2PdRh",
"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}