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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4016",
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"results": [
{
"id": "jvasp-40306",
"created_at": "2022-09-04T14:37:55.175911Z",
"updated_at": "2022-09-04T14:37:55.175935Z",
"structure_string": "Sr4 Cd2 As4\n1.0\n4.474496 0.000000 0.000000\n0.000000 0.000000 7.601315\n2.237248 -8.514178 0.000000\nSr Cd As\n4 2 4\ndirect\n0.466085 0.263015 0.067834 Sr\n0.297543 0.607490 0.404916 Sr\n0.702459 0.107489 0.595084 Sr\n0.533919 0.763015 0.932166 Sr\n0.903466 0.921822 0.193073 Cd\n0.096537 0.421821 0.806927 Cd\n0.935930 0.555439 0.128144 As\n0.323264 0.017879 0.353475 As\n0.676739 0.517879 0.646525 As\n0.064073 0.055438 0.871855 As\n",
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{
"id": "jvasp-114353",
"created_at": "2022-09-04T14:38:40.636472Z",
"updated_at": "2022-09-04T14:38:40.636498Z",
"structure_string": "Na1 Mg1 O1\n1.0\n3.505868 0.000000 -0.000000\n-0.000000 3.505868 -0.000000\n0.000000 0.000000 7.068211\nNa Mg O\n1 1 1\ndirect\n0.000000 0.000000 0.716139 Na\n0.000000 0.000000 0.258662 Mg\n0.000000 0.000000 0.004363 O\n",
"nsites": 3,
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"elements": [
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"volume": 86.87616196774229,
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"formula_full": "Na1 Mg1 O1",
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{
"id": "jvasp-56763",
"created_at": "2022-09-04T14:37:08.851801Z",
"updated_at": "2022-09-04T14:37:08.851811Z",
"structure_string": "Tl4 Sb4 Se8\n1.0\n0.000000 9.241932 -0.000320\n4.146437 0.000000 0.000000\n0.000000 -4.312454 -12.090889\nTl Sb Se\n4 4 8\ndirect\n0.682783 0.246627 0.138784 Tl\n0.055335 0.241412 0.359360 Tl\n0.317218 0.746627 0.861216 Tl\n0.944665 0.741412 0.640640 Tl\n0.184854 0.246990 0.110255 Sb\n0.815146 0.746991 0.889745 Sb\n0.580272 0.240004 0.388891 Sb\n0.419728 0.740005 0.611109 Sb\n0.061025 0.245971 0.893471 Se\n0.345384 0.742199 0.393826 Se\n0.654616 0.242199 0.606174 Se\n0.790368 0.742180 0.388804 Se\n0.392857 0.746318 0.118559 Se\n0.209632 0.242179 0.611196 Se\n0.938975 0.745972 0.106529 Se\n0.607143 0.246318 0.881441 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Sb",
"Se"
],
"chemical_system": "Sb-Se-Tl",
"density": 6.939206450731914,
"density_atomic": 0.034531746590538,
"volume": 463.34175301703795,
"volume_molar": 17.439432854085982,
"formula_full": "Tl4 Sb4 Se8",
"formula_reduced": "TlSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8475138583333335,
"spacegroup": 11
},
{
"id": "jvasp-55105",
"created_at": "2022-09-04T14:38:34.281539Z",
"updated_at": "2022-09-04T14:38:34.281565Z",
"structure_string": "Tm3 Al1 C1\n1.0\n5.251132 0.000000 0.000000\n0.000000 5.251132 0.000000\n-0.000000 0.000000 5.251132\nTm Al C\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Al",
"C"
],
"chemical_system": "Al-C-Tm",
"density": 6.259213122684139,
"density_atomic": 0.03453116239564186,
"volume": 144.79674743387858,
"volume_molar": 17.43972789273971,
"formula_full": "Tm3 Al1 C1",
"formula_reduced": "Tm3AlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.78764111,
"spacegroup": 221
},
{
"id": "jvasp-102063",
"created_at": "2022-09-04T14:37:03.494484Z",
"updated_at": "2022-09-04T14:37:03.494507Z",
"structure_string": "K2 Na1 Tl1 Cl6\n1.0\n6.431362 -0.000000 3.713149\n2.143787 6.063546 3.713149\n-0.000000 -0.000000 7.426296\nK Na Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.753103 0.246897 0.246897 Cl\n0.246897 0.246897 0.753103 Cl\n0.246897 0.753103 0.753103 Cl\n0.246897 0.753103 0.246897 Cl\n0.753103 0.246897 0.753103 Cl\n0.753103 0.753103 0.246897 Cl\n",
"nsites": 10,
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"elements": [
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"Na",
"Tl",
"Cl"
],
"chemical_system": "Cl-K-Na-Tl",
"density": 2.9717897923302865,
"density_atomic": 0.03453012198725565,
"volume": 289.6022204523573,
"volume_molar": 17.440253359726466,
"formula_full": "K2 Na1 Tl1 Cl6",
"formula_reduced": "K2NaTlCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106277",
"created_at": "2022-09-04T14:38:38.893932Z",
"updated_at": "2022-09-04T14:38:38.893948Z",
"structure_string": "Tb3 Sc1\n1.0\n4.453949 -0.011594 -3.942411\n-0.910753 4.359853 -3.942411\n0.009447 0.011594 5.948124\nTb Sc\n3 1\ndirect\n0.750001 0.250000 0.500000 Tb\n0.250001 0.749999 0.500000 Tb\n0.500000 0.500000 0.000001 Tb\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Sc"
],
"chemical_system": "Sc-Tb",
"density": 7.478308466299482,
"density_atomic": 0.0345276345146119,
"volume": 115.84923370024732,
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"formula_full": "Tb3 Sc1",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-3558",
"created_at": "2022-09-04T14:36:01.195438Z",
"updated_at": "2022-09-04T14:36:01.195469Z",
"structure_string": "Rb2 Mn1 Cl4\n1.0\n4.799391 -0.000000 -1.430184\n-0.426184 4.780432 -1.430184\n0.017130 0.018726 8.825441\nRb Mn Cl\n2 1 4\ndirect\n0.357813 0.357813 0.715626 Rb\n0.642188 0.642188 0.284375 Rb\n0.000000 0.000000 0.000000 Mn\n0.842798 0.842798 0.685599 Cl\n0.157202 0.157202 0.314402 Cl\n0.000000 0.500000 0.000000 Cl\n0.500000 -0.000000 0.000000 Cl\n",
"nsites": 7,
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"elements": [
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"Mn",
"Cl"
],
"chemical_system": "Cl-Mn-Rb",
"density": 3.011515233641063,
"density_atomic": 0.03452687975049086,
"volume": 202.7405908262093,
"volume_molar": 17.44189108172853,
"formula_full": "Rb2 Mn1 Cl4",
"formula_reduced": "Rb2MnCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.2101990730541869,
"spacegroup": 139
},
{
"id": "jvasp-57430",
"created_at": "2022-09-04T14:37:02.534880Z",
"updated_at": "2022-09-04T14:37:02.534911Z",
"structure_string": "Ba4 Mn4 Bi4 O2\n1.0\n2.410161 -4.174522 0.000000\n2.410161 4.174522 -0.000000\n-0.000000 0.000000 20.151322\nBa Mn Bi O\n4 4 4 2\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.848644 Mn\n0.333333 0.666667 0.151356 Mn\n0.666667 0.333333 0.651356 Mn\n0.333333 0.666667 0.348644 Mn\n0.666667 0.333333 0.113102 Bi\n0.666667 0.333333 0.386898 Bi\n0.333333 0.666667 0.613102 Bi\n0.333333 0.666667 0.886898 Bi\n0.666667 0.333333 0.750000 O\n0.333333 0.666667 0.250000 O\n",
"nsites": 14,
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"elements": [
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"Mn",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Mn-O",
"density": 6.703571988757607,
"density_atomic": 0.0345256360799707,
"volume": 405.4957877552847,
"volume_molar": 17.44251936749578,
"formula_full": "Ba4 Mn4 Bi4 O2",
"formula_reduced": "Ba2Mn2Bi2O",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 1.861658360394088,
"spacegroup": 194
},
{
"id": "jvasp-86944",
"created_at": "2022-09-04T14:36:03.939020Z",
"updated_at": "2022-09-04T14:36:03.939045Z",
"structure_string": "Sr2 Cd4\n1.0\n4.664776 -0.000000 2.009318\n2.181948 5.844864 1.353917\n0.015326 0.047150 6.383882\nSr Cd\n2 4\ndirect\n0.457547 0.292454 0.792454 Sr\n0.542456 0.707545 0.207546 Sr\n0.835204 0.113751 0.215843 Cd\n0.164799 0.886248 0.784157 Cd\n0.164798 0.284157 0.386249 Cd\n0.835204 0.715842 0.613751 Cd\n",
"nsites": 6,
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"elements": [
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"Cd"
],
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"density": 5.970838288950057,
"density_atomic": 0.0345253474024115,
"volume": 173.7853621012635,
"volume_molar": 17.44266521002297,
"formula_full": "Sr2 Cd4",
"formula_reduced": "SrCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1704780845454544,
"spacegroup": 74
},
{
"id": "jvasp-86316",
"created_at": "2022-09-04T14:35:51.556863Z",
"updated_at": "2022-09-04T14:35:51.556889Z",
"structure_string": "Sr2 Cd4\n1.0\n4.664776 -0.000000 2.009318\n2.181948 5.844864 1.353917\n0.015326 0.047150 6.383882\nSr Cd\n2 4\ndirect\n0.457547 0.292454 0.792454 Sr\n0.542456 0.707545 0.207546 Sr\n0.835204 0.113751 0.215843 Cd\n0.164799 0.886248 0.784157 Cd\n0.164798 0.284157 0.386249 Cd\n0.835204 0.715842 0.613751 Cd\n",
"nsites": 6,
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"elements": [
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],
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"volume": 173.7853621012635,
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"formula_full": "Sr2 Cd4",
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"spacegroup": 74
},
{
"id": "jvasp-118691",
"created_at": "2022-09-04T14:38:52.821330Z",
"updated_at": "2022-09-04T14:38:52.821366Z",
"structure_string": "Mg1 Cl2\n1.0\n6.570375 0.000000 0.000000\n0.000000 3.453850 0.000000\n0.000000 0.000000 3.829263\nMg Cl\n1 2\ndirect\n0.000000 0.450669 0.000000 Mg\n0.248122 -0.049335 0.000000 Cl\n0.751877 -0.049335 0.000000 Cl\n",
"nsites": 3,
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"volume": 86.8978087199582,
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"formula_full": "Mg1 Cl2",
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"spacegroup": 47
},
{
"id": "jvasp-3711",
"created_at": "2022-09-04T14:35:54.544128Z",
"updated_at": "2022-09-04T14:35:54.544151Z",
"structure_string": "Ba2 H2 I2\n1.0\n4.726482 0.000000 0.000000\n0.000000 4.726482 0.000000\n0.000000 0.000000 7.779853\nBa H I\n2 2 2\ndirect\n0.500000 0.000000 0.825172 Ba\n0.000000 0.500000 0.174828 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.656721 I\n0.500000 0.000000 0.343279 I\n",
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"formula_full": "Ba2 H2 I2",
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}
]
}