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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4556",
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{
"id": "jvasp-91873",
"created_at": "2022-09-04T14:36:17.411952Z",
"updated_at": "2022-09-04T14:36:17.411979Z",
"structure_string": "Mg7 Sb1\n1.0\n6.362579 -0.000000 0.000000\n-3.181290 5.510155 -0.000000\n0.000000 -0.000000 5.240611\nMg Sb\n7 1\ndirect\n0.164529 0.832263 0.250000 Mg\n0.667736 0.335470 0.250000 Mg\n0.667736 0.832263 0.250000 Mg\n0.336842 0.163158 0.750000 Mg\n0.336841 0.673685 0.750000 Mg\n0.826315 0.163158 0.750000 Mg\n0.833333 0.666666 0.750000 Mg\n0.166667 0.333333 0.250000 Sb\n",
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{
"id": "jvasp-99754",
"created_at": "2022-09-04T14:36:14.876688Z",
"updated_at": "2022-09-04T14:36:14.876718Z",
"structure_string": "Ca2 In1 Pb1\n1.0\n4.741902 0.000000 2.737738\n1.580634 4.470708 2.737738\n-0.000000 -0.000000 5.475476\nCa In Pb\n2 1 1\ndirect\n0.749999 0.750000 0.750001 Ca\n0.250000 0.250000 0.250000 Ca\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-66310",
"created_at": "2022-09-04T14:36:09.814922Z",
"updated_at": "2022-09-04T14:36:09.814938Z",
"structure_string": "Ba1 Li1 Cl1\n1.0\n0.000000 3.918095 3.918095\n3.918095 0.000000 3.918095\n3.918095 3.918095 0.000000\nBa Li Cl\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Li\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"Li",
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"chemical_system": "Ba-Cl-Li",
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"volume": 120.29702338884142,
"volume_molar": 24.148186928553844,
"formula_full": "Ba1 Li1 Cl1",
"formula_reduced": "BaLiCl",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-105920",
"created_at": "2022-09-04T14:36:15.508174Z",
"updated_at": "2022-09-04T14:36:15.508194Z",
"structure_string": "Li1 Mg2 Pb1\n1.0\n4.390355 -0.000000 2.534773\n1.463452 4.139267 2.534773\n0.000000 0.000000 5.069546\nLi Mg Pb\n1 2 1\ndirect\n0.500000 0.500000 0.499999 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.749999 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Pb"
],
"chemical_system": "Li-Mg-Pb",
"density": 4.735886957528136,
"density_atomic": 0.04341780300214049,
"volume": 92.12810698419726,
"volume_molar": 13.870210705279376,
"formula_full": "Li1 Mg2 Pb1",
"formula_reduced": "LiMg2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99682",
"created_at": "2022-09-04T14:36:36.215336Z",
"updated_at": "2022-09-04T14:36:36.215347Z",
"structure_string": "Na2 Eu1 Cu1 Cl6\n1.0\n6.286197 0.000000 3.629338\n2.095399 5.926684 3.629338\n0.000000 0.000000 7.258676\nNa Eu Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.750001 Na\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500001 Cu\n0.257618 0.742382 0.257618 Cl\n0.742383 0.742382 0.257618 Cl\n0.742383 0.257617 0.742383 Cl\n0.742383 0.257617 0.257618 Cl\n0.257618 0.742382 0.742384 Cl\n0.257617 0.257617 0.742383 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Eu-Na",
"density": 2.9117922149254136,
"density_atomic": 0.03697794986866101,
"volume": 270.43143374681915,
"volume_molar": 16.28576159951959,
"formula_full": "Na2 Eu1 Cu1 Cl6",
"formula_reduced": "Na2EuCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-18473",
"created_at": "2022-09-04T14:36:37.006551Z",
"updated_at": "2022-09-04T14:36:37.006566Z",
"structure_string": "Tb2 Br2\n1.0\n3.771713 0.023202 9.292370\n1.832836 3.296523 9.292370\n0.039170 0.023202 10.028580\nTb Br\n2 2\ndirect\n0.880526 0.880523 0.880525 Tb\n0.119475 0.119475 0.119475 Tb\n0.612690 0.612688 0.612690 Br\n0.387311 0.387310 0.387311 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Br-Tb",
"density": 6.4666923390704145,
"density_atomic": 0.03261184735540558,
"volume": 122.65481180528646,
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"formula_full": "Tb2 Br2",
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},
{
"id": "jvasp-95591",
"created_at": "2022-09-04T14:36:14.707614Z",
"updated_at": "2022-09-04T14:36:14.707636Z",
"structure_string": "K2 H2 I4 F24\n1.0\n-4.937769 4.937769 5.203949\n4.937769 -4.937769 5.203949\n4.937769 4.937769 -5.203949\nK H I F\n2 2 4 24\ndirect\n0.250000 0.250000 0.000000 K\n0.750000 0.750000 0.000000 K\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n0.656816 0.156816 0.813630 I\n0.343184 0.843184 0.186370 I\n0.156816 0.343184 0.500000 I\n0.843184 0.656816 0.500000 I\n0.148879 0.289747 0.697003 F\n0.648879 0.951876 0.859132 F\n0.092745 0.789747 0.140868 F\n0.548124 0.851122 0.140868 F\n0.407256 0.548124 0.697003 F\n0.048124 0.907256 0.697003 F\n0.210253 0.351121 0.302998 F\n0.592745 0.451876 0.302998 F\n0.851122 0.710253 0.302998 F\n0.710253 0.407256 0.859132 F\n0.789747 0.648879 0.697003 F\n0.708215 0.791786 0.500000 F\n0.289747 0.592745 0.140868 F\n0.451876 0.148879 0.859132 F\n0.351121 0.048124 0.140868 F\n0.291786 0.208214 0.500000 F\n0.208214 0.708215 0.916429 F\n0.791786 0.291786 0.083571 F\n0.861225 0.361225 0.500000 F\n0.361225 0.861225 0.500000 F\n0.138775 0.638775 0.500000 F\n0.638775 0.138775 0.500000 F\n0.951876 0.092745 0.302998 F\n0.907256 0.210253 0.859132 F\n",
"nsites": 32,
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"elements": [
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"I",
"F"
],
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"density": 3.4151400335713475,
"density_atomic": 0.06305149923906024,
"volume": 507.52163526947635,
"volume_molar": 9.551146019806772,
"formula_full": "K2 H2 I4 F24",
"formula_reduced": "KH(IF6)2",
"formula_anonymous": "ABC2D12",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-94760",
"created_at": "2022-09-04T14:36:09.871320Z",
"updated_at": "2022-09-04T14:36:09.871340Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n6.987372 0.211007 0.000000\n-3.310949 6.156745 0.000000\n0.000000 0.000000 5.474645\nRb Ca Mg\n1 1 6\ndirect\n0.367616 0.132384 0.750001 Rb\n0.164869 0.335130 0.250000 Ca\n0.117861 0.793313 0.250000 Mg\n0.706686 0.382139 0.250000 Mg\n0.644050 0.855950 0.250000 Mg\n0.313739 0.629586 0.750001 Mg\n0.870413 0.186261 0.750001 Mg\n0.814763 0.685236 0.750001 Mg\n",
"nsites": 8,
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"elements": [
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"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Rb",
"density": 1.8827946772816673,
"density_atomic": 0.03342510149449524,
"volume": 239.3410832669428,
"volume_molar": 18.016821163555125,
"formula_full": "Rb1 Ca1 Mg6",
"formula_reduced": "RbCaMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-69225",
"created_at": "2022-09-04T14:36:14.771199Z",
"updated_at": "2022-09-04T14:36:14.771224Z",
"structure_string": "Ba1 Sr2 Bi1\n1.0\n4.328921 0.000000 0.000000\n0.000000 4.328921 -0.000000\n-0.000000 -0.000000 9.800223\nBa Sr Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.676394 Sr\n0.000000 0.000000 0.323606 Sr\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Sr",
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],
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"density": 4.7157155809199685,
"density_atomic": 0.021780342896725556,
"volume": 183.65183775877824,
"volume_molar": 27.649430445401137,
"formula_full": "Ba1 Sr2 Bi1",
"formula_reduced": "BaSr2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-105597",
"created_at": "2022-09-04T14:36:30.925703Z",
"updated_at": "2022-09-04T14:36:30.925724Z",
"structure_string": "K2 Tb1 Au1 Cl6\n1.0\n6.509987 0.000000 3.758543\n2.169995 6.137675 3.758543\n-0.000000 -0.000000 7.517086\nTb K Au Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Au\n0.753381 0.246619 0.246619 Cl\n0.246620 0.246619 0.753381 Cl\n0.246620 0.753380 0.753381 Cl\n0.246620 0.753380 0.246619 Cl\n0.753381 0.246619 0.753381 Cl\n0.753382 0.753380 0.246618 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.575937812653147,
"density_atomic": 0.03329403806495297,
"volume": 300.3540748193749,
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"formula_full": "K2 Tb1 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-68994",
"created_at": "2022-09-04T14:36:09.527054Z",
"updated_at": "2022-09-04T14:36:09.527072Z",
"structure_string": "Ba1 Li1 Tl2\n1.0\n5.629065 0.000000 -0.000000\n-0.000000 5.629065 -0.000000\n0.000000 0.000000 4.116221\nBa Li Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n",
"nsites": 4,
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],
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"volume": 130.4281130270932,
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"formula_full": "Ba1 Li1 Tl2",
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},
{
"id": "jvasp-69156",
"created_at": "2022-09-04T14:36:14.625627Z",
"updated_at": "2022-09-04T14:36:14.625646Z",
"structure_string": "Ba2 Mg1 Zn1\n1.0\n0.000000 4.217125 4.217125\n4.217125 0.000000 4.217125\n4.217125 4.217125 -0.000000\nBa Mg Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Zn\n",
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"formula_full": "Ba2 Mg1 Zn1",
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}
]
}