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{
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"results": [
{
"id": "jvasp-100125",
"created_at": "2022-09-04T14:36:21.876006Z",
"updated_at": "2022-09-04T14:36:21.876040Z",
"structure_string": "K2 Rb1 Nd1 Cl6\n1.0\n7.042698 -0.000000 4.066104\n2.347566 6.639919 4.066104\n-0.000000 -0.000000 8.132207\nK Rb Nd Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Nd\n0.764058 0.235942 0.235942 Cl\n0.235943 0.235942 0.764058 Cl\n0.235943 0.764058 0.764057 Cl\n0.235943 0.764058 0.235942 Cl\n0.764058 0.235942 0.764057 Cl\n0.764058 0.764058 0.235941 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.026296002239672864,
"volume": 380.28594266367105,
"volume_molar": 22.901354757699167,
"formula_full": "K2 Rb1 Nd1 Cl6",
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{
"id": "jvasp-100124",
"created_at": "2022-09-04T14:36:20.877700Z",
"updated_at": "2022-09-04T14:36:20.877711Z",
"structure_string": "Rb2 Al1 In1 Br6\n1.0\n6.825459 -0.000000 3.940680\n2.275153 6.435105 3.940680\n-0.000000 0.000000 7.881361\nRb Al In Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.774149 0.225851 0.225851 Br\n0.225851 0.225851 0.774149 Br\n0.225851 0.774149 0.774149 Br\n0.225851 0.774149 0.225851 Br\n0.774149 0.225851 0.774149 Br\n0.774149 0.774149 0.225851 Br\n",
"nsites": 10,
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"Al",
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"Br"
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"chemical_system": "Al-Br-In-Rb",
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"volume": 346.16943584918187,
"volume_molar": 20.846810694935634,
"formula_full": "Rb2 Al1 In1 Br6",
"formula_reduced": "Rb2AlInBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100123",
"created_at": "2022-09-04T14:36:22.258236Z",
"updated_at": "2022-09-04T14:36:22.258263Z",
"structure_string": "Rb2 Li1 Sc1 Cl6\n1.0\n6.149736 -0.000000 3.550551\n2.049912 5.798026 3.550551\n0.000000 0.000000 7.101103\nRb Li Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sc\n0.752608 0.247393 0.247392 Cl\n0.247393 0.247393 0.752607 Cl\n0.247393 0.752608 0.752607 Cl\n0.247393 0.752608 0.247392 Cl\n0.752608 0.247393 0.752606 Cl\n0.752607 0.752608 0.247392 Cl\n",
"nsites": 10,
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"elements": [
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"Li",
"Sc",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Sc",
"density": 2.856440506062281,
"density_atomic": 0.039494585202134475,
"volume": 253.1992664011965,
"volume_molar": 15.24801622596744,
"formula_full": "Rb2 Li1 Sc1 Cl6",
"formula_reduced": "Rb2LiScCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0249899655,
"spacegroup": 225
},
{
"id": "jvasp-100122",
"created_at": "2022-09-04T14:36:17.893239Z",
"updated_at": "2022-09-04T14:36:17.893258Z",
"structure_string": "K2 Rb1 Nd1 Br6\n1.0\n7.383127 -0.000000 4.262651\n2.461043 6.960880 4.262651\n-0.000000 -0.000000 8.525301\nK Rb Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.762806 0.237194 0.237194 Br\n0.237194 0.237194 0.762806 Br\n0.237194 0.762806 0.762806 Br\n0.237194 0.762806 0.237194 Br\n0.762806 0.237194 0.762806 Br\n0.762806 0.762806 0.237194 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Nd",
"Br"
],
"chemical_system": "Br-K-Nd-Rb",
"density": 2.9839525352147223,
"density_atomic": 0.022823686465595495,
"volume": 438.14131494813665,
"volume_molar": 26.38548671389171,
"formula_full": "K2 Rb1 Nd1 Br6",
"formula_reduced": "K2RbNdBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-100121",
"created_at": "2022-09-04T14:36:16.887536Z",
"updated_at": "2022-09-04T14:36:16.887559Z",
"structure_string": "Rb2 In1 Sb1 F6\n1.0\n5.828205 -0.000000 3.364916\n1.942735 5.494884 3.364916\n-0.000000 -0.000000 6.729831\nRb In Sb F\n2 1 1 6\ndirect\n0.749999 0.749999 0.750002 Rb\n0.250000 0.250000 0.250001 Rb\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Sb\n0.768577 0.231422 0.231423 F\n0.231422 0.231422 0.768579 F\n0.231421 0.768578 0.768579 F\n0.231421 0.768578 0.231423 F\n0.768577 0.231422 0.768579 F\n0.768577 0.768578 0.231424 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"In",
"Sb",
"F"
],
"chemical_system": "F-In-Rb-Sb",
"density": 4.017993697454834,
"density_atomic": 0.046398345432402385,
"volume": 215.52492673621242,
"volume_molar": 12.979214460941586,
"formula_full": "Rb2 In1 Sb1 F6",
"formula_reduced": "Rb2InSbF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100120",
"created_at": "2022-09-04T14:36:15.534349Z",
"updated_at": "2022-09-04T14:36:15.534370Z",
"structure_string": "Rb2 Al1 In1 F6\n1.0\n5.434192 -0.000000 3.137433\n1.811398 5.123405 3.137433\n-0.000000 -0.000000 6.274864\nRb Al In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.749999 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 In\n0.206869 0.206869 0.793130 F\n0.206869 0.793132 0.793130 F\n0.793131 0.793132 0.206868 F\n0.206869 0.793132 0.206868 F\n0.793131 0.206869 0.793130 F\n0.793131 0.206869 0.206868 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Al",
"In",
"F"
],
"chemical_system": "Al-F-In-Rb",
"density": 4.0560170152638655,
"density_atomic": 0.057240315122543475,
"volume": 174.70204310705495,
"volume_molar": 10.520802946502728,
"formula_full": "Rb2 Al1 In1 F6",
"formula_reduced": "Rb2AlInF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100119",
"created_at": "2022-09-04T14:36:39.470822Z",
"updated_at": "2022-09-04T14:36:39.470842Z",
"structure_string": "Rb3 Ga1 F6\n1.0\n5.535355 -0.000000 3.195839\n1.845118 5.218782 3.195839\n-0.000000 -0.000000 6.391677\nRb Ga F\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Ga\n0.787660 0.212340 0.212340 F\n0.212340 0.212340 0.787661 F\n0.212340 0.787660 0.787661 F\n0.212340 0.787660 0.212340 F\n0.787660 0.212340 0.787661 F\n0.787660 0.787660 0.212340 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ga",
"F"
],
"chemical_system": "F-Ga-Rb",
"density": 3.95810771140698,
"density_atomic": 0.054158988590571916,
"volume": 184.64155738943796,
"volume_molar": 11.119374487448136,
"formula_full": "Rb3 Ga1 F6",
"formula_reduced": "Rb3GaF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100116",
"created_at": "2022-09-04T14:36:36.882186Z",
"updated_at": "2022-09-04T14:36:36.882222Z",
"structure_string": "Rb2 Eu1 Ag1 Cl6\n1.0\n6.542912 0.000000 3.777552\n2.180970 6.168717 3.777552\n0.000000 0.000000 7.555104\nRb Eu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.499999 Ag\n0.751560 0.248439 0.248439 Cl\n0.248439 0.248439 0.751560 Cl\n0.248439 0.751561 0.751560 Cl\n0.248439 0.751561 0.248439 Cl\n0.751560 0.248439 0.751560 Cl\n0.751560 0.751561 0.248439 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Eu",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Eu-Rb",
"density": 3.504141961008897,
"density_atomic": 0.03279394221210563,
"volume": 304.934366698633,
"volume_molar": 18.363576788206245,
"formula_full": "Rb2 Eu1 Ag1 Cl6",
"formula_reduced": "Rb2EuAgCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-100114",
"created_at": "2022-09-04T14:36:56.358320Z",
"updated_at": "2022-09-04T14:36:56.358338Z",
"structure_string": "Rb2 Ag1 As1 Br6\n1.0\n6.651834 -0.000000 3.840438\n2.217278 6.271410 3.840438\n0.000000 -0.000000 7.680877\nRb Ag As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.754718 0.245282 0.245282 Br\n0.245282 0.245282 0.754718 Br\n0.245282 0.754718 0.754719 Br\n0.245282 0.754718 0.245282 Br\n0.754718 0.245282 0.754719 Br\n0.754718 0.754718 0.245282 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ag-As-Br-Rb",
"density": 4.317721001825627,
"density_atomic": 0.031209196867197947,
"volume": 320.41837034615844,
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"formula_full": "Rb2 Ag1 As1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-10011",
"created_at": "2022-09-04T14:38:31.530688Z",
"updated_at": "2022-09-04T14:38:31.530717Z",
"structure_string": "Ho4 Cd2 S8\n1.0\n6.866295 -0.000000 3.964257\n2.288765 6.473605 3.964257\n-0.000000 0.000000 7.928515\nHo Cd S\n4 2 8\ndirect\n0.500001 0.500000 0.000000 Ho\n0.500001 0.500000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.125000 0.125000 0.125000 Cd\n0.875001 0.874999 0.875000 Cd\n0.742551 0.742549 0.742549 S\n0.257451 0.257450 0.727650 S\n0.257451 0.727650 0.257450 S\n0.727651 0.257450 0.257450 S\n0.742550 0.272350 0.742549 S\n0.272351 0.742549 0.742549 S\n0.257451 0.257450 0.257450 S\n0.742551 0.742549 0.272350 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.376483536128253,
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"volume": 352.4199676555162,
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"formula_full": "Ho4 Cd2 S8",
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"spacegroup": 227
},
{
"id": "jvasp-10010",
"created_at": "2022-09-04T14:38:31.846271Z",
"updated_at": "2022-09-04T14:38:31.846297Z",
"structure_string": "Ca2 As2 O7\n1.0\n4.923132 -0.004623 -0.590349\n-0.897549 5.596633 -1.577419\n-0.008128 0.011121 5.883533\nCa As O\n2 2 7\ndirect\n0.500000 0.694376 0.305623 Ca\n0.499999 0.305623 0.694376 Ca\n0.090179 0.771811 0.771811 As\n0.909820 0.228188 0.228188 As\n0.276617 0.915767 0.612435 O\n0.723382 0.387564 0.084232 O\n0.723382 0.084232 0.387564 O\n0.276617 0.612436 0.915767 O\n0.000000 0.000000 0.000000 O\n0.783186 0.616066 0.616065 O\n0.216813 0.383934 0.383934 O\n",
"nsites": 11,
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"elements": [
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],
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"density": 3.5022949106555963,
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"volume": 162.14969686135376,
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"formula_full": "Ca2 As2 O7",
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},
{
"id": "jvasp-100095",
"created_at": "2022-09-04T14:36:38.929925Z",
"updated_at": "2022-09-04T14:36:38.929952Z",
"structure_string": "Rb2 Nd1 Cu1 Cl6\n1.0\n6.409200 -0.000000 3.700354\n2.136400 6.042652 3.700354\n0.000000 0.000000 7.400707\nRb Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759191 0.240809 0.240809 Cl\n0.240809 0.240809 0.759191 Cl\n0.240809 0.759190 0.759191 Cl\n0.240809 0.759190 0.240809 Cl\n0.759191 0.240809 0.759190 Cl\n0.759191 0.759190 0.240809 Cl\n",
"nsites": 10,
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],
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"density_atomic": 0.034889551108455624,
"volume": 286.6187635637553,
"volume_molar": 17.260585386380935,
"formula_full": "Rb2 Nd1 Cu1 Cl6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}