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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4472",
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"results": [
{
"id": "jvasp-38082",
"created_at": "2022-09-04T14:37:59.504716Z",
"updated_at": "2022-09-04T14:37:59.504741Z",
"structure_string": "Rb2 Na1 Sb1 Cl6\n1.0\n0.000000 5.323230 5.323230\n5.323230 0.000000 5.323230\n5.323230 5.323230 -0.000000\nRb Na Sb Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.248423 0.751577 0.751577 Cl\n0.248423 0.751577 0.248423 Cl\n0.751577 0.248423 0.751577 Cl\n0.751577 0.751577 0.248423 Cl\n0.248423 0.248423 0.751577 Cl\n0.751577 0.248423 0.248423 Cl\n",
"nsites": 10,
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"volume": 301.68636959756446,
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"formula_full": "Rb2 Na1 Sb1 Cl6",
"formula_reduced": "Rb2NaSbCl6",
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"spacegroup": 225
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{
"id": "jvasp-40118",
"created_at": "2022-09-04T14:37:39.882815Z",
"updated_at": "2022-09-04T14:37:39.882842Z",
"structure_string": "Ba2 Tl1 Cd1\n1.0\n0.000000 4.230486 4.230486\n4.230486 -0.000000 4.230486\n4.230486 4.230486 -0.000000\nBa Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.499999 0.499999 0.499999 Ba\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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"elements": [
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"Tl",
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],
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"density": 6.485823158974993,
"density_atomic": 0.026415522723668705,
"volume": 151.42611569128405,
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"formula_full": "Ba2 Tl1 Cd1",
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},
{
"id": "jvasp-36972",
"created_at": "2022-09-04T14:37:59.777009Z",
"updated_at": "2022-09-04T14:37:59.777040Z",
"structure_string": "Rb2 Sn2 Cl6\n1.0\n6.625748 -0.205987 3.325474\n1.963353 6.331526 3.325474\n-0.288831 -0.205987 7.407827\nRb Sn Cl\n2 2 6\ndirect\n0.261926 0.261926 0.261926 Rb\n0.761926 0.761926 0.761925 Rb\n0.009852 0.009852 0.009852 Sn\n0.509852 0.509852 0.509851 Sn\n0.210439 0.866958 0.679326 Cl\n0.866958 0.679327 0.210438 Cl\n0.679327 0.210438 0.866958 Cl\n0.179327 0.366958 0.710439 Cl\n0.710439 0.179326 0.366958 Cl\n0.366958 0.710439 0.179326 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Sn",
"Cl"
],
"chemical_system": "Cl-Rb-Sn",
"density": 3.190606388051787,
"density_atomic": 0.030937204198090356,
"volume": 323.2354137746314,
"volume_molar": 19.46569160367674,
"formula_full": "Rb2 Sn2 Cl6",
"formula_reduced": "RbSnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 161
},
{
"id": "jvasp-38238",
"created_at": "2022-09-04T14:37:48.607784Z",
"updated_at": "2022-09-04T14:37:48.607806Z",
"structure_string": "Rb3 Lu1\n1.0\n-3.169446 3.169446 6.168347\n3.169446 -3.169446 6.168347\n3.169446 3.169446 -6.168347\nRb Lu\n3 1\ndirect\n0.750002 0.250000 0.500002 Rb\n0.250000 0.750002 0.500002 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Lu"
],
"chemical_system": "Lu-Rb",
"density": 2.8900405524914166,
"density_atomic": 0.016138549158890837,
"volume": 247.8537544247819,
"volume_molar": 37.315254926012734,
"formula_full": "Rb3 Lu1",
"formula_reduced": "Rb3Lu",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-35308",
"created_at": "2022-09-04T14:37:34.762101Z",
"updated_at": "2022-09-04T14:37:34.762125Z",
"structure_string": "Yb1 Mg1 Cu4\n1.0\n-3.569170 -3.569170 -0.000000\n-3.569170 0.000000 -3.569170\n-0.000000 -3.569170 -3.569170\nYb Mg Cu\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Mg\n0.374355 0.374355 0.374355 Cu\n0.876935 0.374355 0.374355 Cu\n0.374355 0.876935 0.374355 Cu\n0.374355 0.374355 0.876935 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Yb",
"density": 8.245235198930231,
"density_atomic": 0.06598110019656386,
"volume": 90.93513115309445,
"volume_molar": 9.127069330549931,
"formula_full": "Yb1 Mg1 Cu4",
"formula_reduced": "YbMgCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-109087",
"created_at": "2022-09-04T14:37:50.351203Z",
"updated_at": "2022-09-04T14:37:50.351244Z",
"structure_string": "Yb1 Ce1 Cd2\n1.0\n4.635477 -0.000000 2.676294\n1.545159 4.370369 2.676294\n-0.000000 -0.000000 5.352587\nYb Ce Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.499999 Ce\n0.750001 0.750000 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ce",
"Cd"
],
"chemical_system": "Cd-Ce-Yb",
"density": 8.238295032808626,
"density_atomic": 0.03688788190381559,
"volume": 108.43669502168542,
"volume_molar": 16.325526024244525,
"formula_full": "Yb1 Ce1 Cd2",
"formula_reduced": "YbCeCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108591",
"created_at": "2022-09-04T14:38:00.856547Z",
"updated_at": "2022-09-04T14:38:00.856583Z",
"structure_string": "Rb2 Sc1 Hg1 Br6\n1.0\n6.878010 -0.000000 3.971021\n2.292670 6.484650 3.971021\n-0.000000 -0.000000 7.942042\nRb Sc Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.764476 0.235524 0.235524 Br\n0.235524 0.235524 0.764476 Br\n0.235524 0.764476 0.764476 Br\n0.235524 0.764476 0.235524 Br\n0.764476 0.235524 0.764476 Br\n0.764476 0.764476 0.235523 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Hg",
"Br"
],
"chemical_system": "Br-Hg-Rb-Sc",
"density": 4.199811351869138,
"density_atomic": 0.028230493948721416,
"volume": 354.22688735677997,
"volume_molar": 21.33204176639193,
"formula_full": "Rb2 Sc1 Hg1 Br6",
"formula_reduced": "Rb2ScHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39389",
"created_at": "2022-09-04T14:37:50.371540Z",
"updated_at": "2022-09-04T14:37:50.371569Z",
"structure_string": "Li1 Cd3\n1.0\n-0.000000 3.432752 3.432752\n3.432752 0.000000 3.432752\n3.432752 3.432752 0.000000\nLi Cd\n1 3\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.250001 0.250001 0.250001 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 7.064312042307211,
"density_atomic": 0.04944276035498185,
"volume": 80.90163193319687,
"volume_molar": 12.180025380385562,
"formula_full": "Li1 Cd3",
"formula_reduced": "LiCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40362",
"created_at": "2022-09-04T14:37:50.376952Z",
"updated_at": "2022-09-04T14:37:50.376970Z",
"structure_string": "Sc1 Cd1 Hg2\n1.0\n0.000000 3.493196 3.493196\n3.493196 0.000000 3.493196\n3.493196 3.493196 0.000000\nSc Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sc\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Sc",
"density": 10.879523994703412,
"density_atomic": 0.04692033812231913,
"volume": 85.2508775527616,
"volume_molar": 12.834819613406367,
"formula_full": "Sc1 Cd1 Hg2",
"formula_reduced": "ScCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39538",
"created_at": "2022-09-04T14:37:49.068136Z",
"updated_at": "2022-09-04T14:37:49.068168Z",
"structure_string": "Zn1 Ga3\n1.0\n4.179594 -0.000000 0.000000\n-0.000000 4.179594 -0.000000\n0.000000 -0.000000 4.179594\nZn Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.499999 0.499999 Ga\n0.499999 0.000000 0.499999 Ga\n0.499999 0.499999 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Zn",
"density": 6.244713864923037,
"density_atomic": 0.05478449972464826,
"volume": 73.0133526837765,
"volume_molar": 10.992417180530648,
"formula_full": "Zn1 Ga3",
"formula_reduced": "ZnGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-23920",
"created_at": "2022-09-04T14:37:39.949794Z",
"updated_at": "2022-09-04T14:37:39.949823Z",
"structure_string": "Ba2 Cl2 F2\n1.0\n4.406989 0.000000 0.000000\n0.000000 4.406989 0.000000\n0.000000 0.000000 7.279779\nBa Cl F\n2 2 2\ndirect\n0.500000 0.000000 0.793274 Ba\n0.000000 0.500000 0.206726 Ba\n0.000000 0.500000 0.647721 Cl\n0.500000 0.000000 0.352280 Cl\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
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"elements": [
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"density": 4.504811916981914,
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"volume": 141.38460673275873,
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"formula_full": "Ba2 Cl2 F2",
"formula_reduced": "BaClF",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-109062",
"created_at": "2022-09-04T14:37:49.054732Z",
"updated_at": "2022-09-04T14:37:49.054748Z",
"structure_string": "Na2 Sr6\n1.0\n8.209531 0.000000 0.000000\n-4.104767 7.109662 0.000000\n-0.000000 -0.000000 6.718441\nNa Sr\n2 6\ndirect\n0.333333 0.666666 0.750000 Na\n0.666666 0.333333 0.250000 Na\n0.166857 0.833142 0.250000 Sr\n0.833142 0.666286 0.750000 Sr\n0.333714 0.166857 0.750000 Sr\n0.833142 0.166857 0.750000 Sr\n0.166857 0.333714 0.250000 Sr\n0.666286 0.833142 0.250000 Sr\n",
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],
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"volume": 392.13518261654036,
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"formula_full": "Na2 Sr6",
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}
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}