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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4601",
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"results": [
{
"id": "jvasp-31167",
"created_at": "2022-09-04T14:37:47.605781Z",
"updated_at": "2022-09-04T14:37:47.605814Z",
"structure_string": "Sn1 Hg1 F6\n1.0\n5.920451 0.061030 0.041335\n3.542319 4.744201 0.041335\n3.542319 1.798804 4.390155\nSn Hg F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500001 0.500000 0.499998 Hg\n0.059426 0.395228 0.774923 F\n0.395229 0.774925 0.059424 F\n0.774925 0.059425 0.395227 F\n0.225077 0.940575 0.604770 F\n0.604773 0.225076 0.940573 F\n0.940576 0.604772 0.225074 F\n",
"nsites": 8,
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"volume": 121.49819920874972,
"volume_molar": 9.145990721520144,
"formula_full": "Sn1 Hg1 F6",
"formula_reduced": "SnHgF6",
"formula_anonymous": "ABC6",
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"spacegroup": 148
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{
"id": "jvasp-39832",
"created_at": "2022-09-04T14:37:47.609720Z",
"updated_at": "2022-09-04T14:37:47.609738Z",
"structure_string": "Yb2 Hg1 Pb1\n1.0\n-0.000000 3.772278 3.772278\n3.772278 0.000000 3.772278\n3.772278 3.772278 0.000000\nYb Hg Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Yb\n0.250000 0.250000 0.250000 Hg\n0.749999 0.749999 0.749999 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
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"density": 11.660159479644,
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"volume": 107.35964532244645,
"volume_molar": 16.163372401886203,
"formula_full": "Yb2 Hg1 Pb1",
"formula_reduced": "Yb2HgPb",
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"spacegroup": 225
},
{
"id": "jvasp-42036",
"created_at": "2022-09-04T14:37:40.438668Z",
"updated_at": "2022-09-04T14:37:40.438688Z",
"structure_string": "Tb1 Mg1 Cd2\n1.0\n-0.000000 3.584556 3.584556\n3.584556 -0.000000 3.584556\n3.584556 3.584556 -0.000000\nTb Mg Cd\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Tb\n0.250000 0.250000 0.250000 Mg\n0.500002 0.500002 0.500002 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Tb",
"density": 7.3557824512452665,
"density_atomic": 0.04342340617486469,
"volume": 92.1162191628203,
"volume_molar": 13.868420951937832,
"formula_full": "Tb1 Mg1 Cd2",
"formula_reduced": "TbMgCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39781",
"created_at": "2022-09-04T14:37:47.926913Z",
"updated_at": "2022-09-04T14:37:47.926934Z",
"structure_string": "Na1 Yb1 Au2\n1.0\n-0.000000 3.505366 3.505366\n3.505366 -0.000000 3.505366\n3.505366 3.505366 -0.000000\nYb Na Au\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250001 0.250001 0.250001 Na\n0.000000 0.000000 0.000000 Au\n0.500001 0.500001 0.500001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Na",
"Au"
],
"chemical_system": "Au-Na-Yb",
"density": 11.37217931805586,
"density_atomic": 0.04643333591307074,
"volume": 86.14500598209273,
"volume_molar": 12.96943379488011,
"formula_full": "Na1 Yb1 Au2",
"formula_reduced": "NaYbAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56792",
"created_at": "2022-09-04T14:37:28.151167Z",
"updated_at": "2022-09-04T14:37:28.151189Z",
"structure_string": "Sm1 Zn5\n1.0\n2.682555 -4.646321 -0.000000\n2.682555 4.646321 0.000000\n-0.000000 0.000000 4.212990\nSm Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Sm\n-0.000000 0.500000 0.500000 Zn\n0.500000 -0.000000 0.500000 Zn\n0.666666 0.333332 0.000000 Zn\n0.499999 0.499999 0.500000 Zn\n0.333332 0.666666 0.000000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.548450146952831,
"density_atomic": 0.057131151940807354,
"volume": 105.02151271545341,
"volume_molar": 10.540905540009836,
"formula_full": "Sm1 Zn5",
"formula_reduced": "SmZn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-107977",
"created_at": "2022-09-04T14:37:51.005741Z",
"updated_at": "2022-09-04T14:37:51.005767Z",
"structure_string": "Sr2 Tl6\n1.0\n7.173601 0.000000 0.000000\n-3.586801 6.212520 0.000000\n-0.000000 -0.000000 5.508358\nSr Tl\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160384 0.320768 0.250000 Tl\n0.679232 0.839616 0.250000 Tl\n0.160384 0.839616 0.250000 Tl\n0.839616 0.679232 0.750000 Tl\n0.320768 0.160384 0.750000 Tl\n0.839616 0.160384 0.750000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Tl"
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"chemical_system": "Sr-Tl",
"density": 9.480415183179675,
"density_atomic": 0.032588382986243614,
"volume": 245.48625206034322,
"volume_molar": 18.479409556902834,
"formula_full": "Sr2 Tl6",
"formula_reduced": "SrTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-38253",
"created_at": "2022-09-04T14:37:51.014508Z",
"updated_at": "2022-09-04T14:37:51.014541Z",
"structure_string": "Rb3 Ca1\n1.0\n-3.669498 3.669498 5.213275\n3.669498 -3.669498 5.213275\n3.669498 3.669498 -5.213275\nRb Ca\n3 1\ndirect\n0.749999 0.250000 0.499999 Rb\n0.250000 0.749999 0.499999 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ca"
],
"chemical_system": "Ca-Rb",
"density": 1.7533257605235164,
"density_atomic": 0.014245446131400559,
"volume": 280.79148684455663,
"volume_molar": 42.27414644969021,
"formula_full": "Rb3 Ca1",
"formula_reduced": "Rb3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40257",
"created_at": "2022-09-04T14:37:51.017537Z",
"updated_at": "2022-09-04T14:37:51.017564Z",
"structure_string": "Ca1 Mg1 Hg2\n1.0\n-0.000000 3.610093 3.610093\n3.610093 0.000000 3.610093\n3.610093 3.610093 0.000000\nCa Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Hg"
],
"chemical_system": "Ca-Hg-Mg",
"density": 8.215658713871642,
"density_atomic": 0.042508406577114924,
"volume": 94.09903409913896,
"volume_molar": 14.166940718126366,
"formula_full": "Ca1 Mg1 Hg2",
"formula_reduced": "CaMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-98566",
"created_at": "2022-09-04T14:37:41.385096Z",
"updated_at": "2022-09-04T14:37:41.385129Z",
"structure_string": "Hg24 Bi4 Sb16 Br28\n1.0\n13.267156 0.000000 0.000000\n-0.000000 13.267156 -0.000000\n-0.000000 -0.000000 13.267156\nHg Bi Sb Br\n24 4 16 28\ndirect\n0.182630 0.299895 0.445272 Hg\n0.200105 0.945272 0.182630 Hg\n0.700105 0.945272 0.317370 Hg\n0.317370 0.799895 0.445272 Hg\n0.554728 0.682630 0.200105 Hg\n0.445272 0.317370 0.799895 Hg\n0.054728 0.817370 0.799895 Hg\n0.299895 0.054728 0.682630 Hg\n0.182630 0.200105 0.945272 Hg\n0.799895 0.445272 0.317370 Hg\n0.682630 0.299895 0.054728 Hg\n0.817370 0.799895 0.054728 Hg\n0.700105 0.554728 0.817370 Hg\n0.682630 0.200105 0.554728 Hg\n0.054728 0.682630 0.299895 Hg\n0.817370 0.700105 0.554728 Hg\n0.299895 0.445272 0.182630 Hg\n0.945272 0.182630 0.200105 Hg\n0.554728 0.817370 0.700105 Hg\n0.445272 0.182630 0.299895 Hg\n0.799895 0.054728 0.817370 Hg\n0.200105 0.554728 0.682630 Hg\n0.317370 0.700105 0.945272 Hg\n0.945272 0.317370 0.700105 Hg\n0.500000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.740161 0.759839 0.240161 Sb\n0.259839 0.259839 0.259839 Sb\n0.759839 0.259839 0.240161 Sb\n0.133969 0.133969 0.133969 Sb\n0.866032 0.866032 0.866032 Sb\n0.759839 0.240161 0.740161 Sb\n0.240161 0.740161 0.759839 Sb\n0.366032 0.633969 0.133969 Sb\n0.633969 0.133969 0.366032 Sb\n0.366032 0.866032 0.633969 Sb\n0.633969 0.366032 0.866032 Sb\n0.133969 0.366032 0.633969 Sb\n0.740161 0.740161 0.740161 Sb\n0.240161 0.759839 0.259839 Sb\n0.866032 0.633969 0.366032 Sb\n0.259839 0.240161 0.759839 Sb\n0.044555 0.055739 0.707534 Br\n0.292467 0.544555 0.444261 Br\n0.207534 0.044555 0.444261 Br\n0.207534 0.455445 0.944262 Br\n0.944262 0.292467 0.955445 Br\n0.955445 0.555739 0.792467 Br\n0.044555 0.444261 0.207534 Br\n0.555739 0.707534 0.455445 Br\n0.055739 0.792467 0.544555 Br\n0.792467 0.955445 0.555739 Br\n0.555739 0.792467 0.955445 Br\n0.792467 0.544555 0.055739 Br\n0.000000 0.500000 0.500000 Br\n0.055739 0.707534 0.044555 Br\n0.500000 0.000000 0.500000 Br\n0.944262 0.207534 0.455445 Br\n0.955445 0.944262 0.292467 Br\n0.292467 0.955445 0.944262 Br\n0.707534 0.044555 0.055739 Br\n0.455445 0.944262 0.207534 Br\n0.000000 0.000000 0.000000 Br\n0.544555 0.444261 0.292467 Br\n0.444261 0.207534 0.044555 Br\n0.544555 0.055739 0.792467 Br\n0.455445 0.555739 0.707534 Br\n0.707534 0.455445 0.555739 Br\n0.444261 0.292467 0.544555 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 72,
"nelements": 4,
"elements": [
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"Bi",
"Sb",
"Br"
],
"chemical_system": "Bi-Br-Hg-Sb",
"density": 6.993819178326699,
"density_atomic": 0.030831807739451156,
"volume": 2335.2506803508527,
"volume_molar": 19.532233759664724,
"formula_full": "Hg24 Bi4 Sb16 Br28",
"formula_reduced": "Hg6BiSb4Br7",
"formula_anonymous": "AB4C6D7",
"energy_above_hull": 0.0,
"spacegroup": 205
},
{
"id": "jvasp-12907",
"created_at": "2022-09-04T14:37:28.112430Z",
"updated_at": "2022-09-04T14:37:28.112450Z",
"structure_string": "K4 Na4 S4\n1.0\n4.624948 0.000000 0.000000\n-0.000000 7.757989 0.000000\n0.000000 0.000000 8.298488\nK Na S\n4 4 4\ndirect\n0.750000 0.987630 0.184231 K\n0.250000 0.012370 0.815769 K\n0.750000 0.487630 0.315769 K\n0.250000 0.512370 0.684231 K\n0.750000 0.853316 0.575550 Na\n0.250000 0.146684 0.424451 Na\n0.750000 0.353316 0.924451 Na\n0.250000 0.646684 0.075549 Na\n0.750000 0.719087 0.894964 S\n0.250000 0.280913 0.105036 S\n0.750000 0.219087 0.605037 S\n0.250000 0.780913 0.394964 S\n",
"nsites": 12,
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"elements": [
"K",
"Na",
"S"
],
"chemical_system": "K-Na-S",
"density": 2.1003350840561676,
"density_atomic": 0.04030196876357337,
"volume": 297.75220338233476,
"volume_molar": 14.942547336404733,
"formula_full": "K4 Na4 S4",
"formula_reduced": "KNaS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-39645",
"created_at": "2022-09-04T14:37:41.478733Z",
"updated_at": "2022-09-04T14:37:41.478760Z",
"structure_string": "Na4 Mg2 Sn2\n1.0\n2.527550 -4.377845 -0.000000\n2.527550 4.377845 0.000000\n-0.000000 -0.000000 10.013912\nNa Mg Sn\n4 2 2\ndirect\n0.666667 0.333333 0.079121 Na\n0.666667 0.333333 0.420879 Na\n0.333333 0.666667 0.579121 Na\n0.333333 0.666667 0.920879 Na\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
"nsites": 8,
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"elements": [
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"Mg",
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],
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"density": 2.83226864608988,
"density_atomic": 0.0360990758626971,
"volume": 221.61232133553816,
"volume_molar": 16.682257415412025,
"formula_full": "Na4 Mg2 Sn2",
"formula_reduced": "Na2MgSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-38248",
"created_at": "2022-09-04T14:37:41.506690Z",
"updated_at": "2022-09-04T14:37:41.506711Z",
"structure_string": "Rb3 Ga1\n1.0\n-3.278174 3.278174 4.643983\n3.278174 -3.278174 4.643983\n3.278174 3.278174 -4.643983\nRb Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Rb",
"density": 2.7128166256829296,
"density_atomic": 0.02003758491379605,
"volume": 199.62485585006633,
"volume_molar": 30.054224528095226,
"formula_full": "Rb3 Ga1",
"formula_reduced": "Rb3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}