HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1530",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1528",
"results": [
{
"id": "jvasp-100459",
"created_at": "2022-09-04T14:37:09.276553Z",
"updated_at": "2022-09-04T14:37:09.276858Z",
"structure_string": "Ba1 Nd1 Mn2 O6\n1.0\n3.905367 0.000000 -0.000000\n0.000000 3.905367 -0.000000\n0.000000 -0.000000 7.802637\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.499999 Ba\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500001 0.753789 Mn\n0.500001 0.500001 0.246211 Mn\n0.500001 0.500001 0.000000 O\n0.000000 0.500001 0.773372 O\n0.500001 0.000000 0.773372 O\n0.000000 0.500001 0.226628 O\n0.500001 0.500001 0.499999 O\n0.500001 0.000000 0.226628 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.801527884950886,
"density_atomic": 0.084030102403458,
"volume": 119.00497219420836,
"volume_molar": 7.166646936934089,
"formula_full": "Ba1 Nd1 Mn2 O6",
"formula_reduced": "BaNdMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.650383295275862,
"spacegroup": 123
},
{
"id": "jvasp-12609",
"created_at": "2022-09-04T14:37:09.251358Z",
"updated_at": "2022-09-04T14:37:09.251380Z",
"structure_string": "Co2 C2 O6\n1.0\n4.209630 -0.029740 3.698982\n1.655797 3.870428 3.698982\n-0.045419 -0.029740 5.603694\nCo C O\n2 2 6\ndirect\n0.500000 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.749999 0.750002 0.749999 C\n0.249999 0.250001 0.250000 C\n0.749999 0.471872 0.028129 O\n0.471871 0.028129 0.749999 O\n0.971870 0.250001 0.528128 O\n0.028130 0.750001 0.471869 O\n0.250001 0.528131 0.971867 O\n0.528130 0.971871 0.249999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Co",
"C",
"O"
],
"chemical_system": "C-Co-O",
"density": 4.269819612263848,
"density_atomic": 0.1080923231331495,
"volume": 92.51350799151456,
"volume_molar": 5.571293673262856,
"formula_full": "Co2 C2 O6",
"formula_reduced": "CoCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.29072828,
"spacegroup": 167
},
{
"id": "jvasp-9994",
"created_at": "2022-09-04T14:37:09.212271Z",
"updated_at": "2022-09-04T14:37:09.212299Z",
"structure_string": "Ba2 Er1 Nb1 O6\n1.0\n5.201102 -0.000000 3.002858\n1.733701 4.903645 3.002858\n-0.000000 -0.000000 6.005714\nBa Er Nb O\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Nb\n0.261467 0.738533 0.738532 O\n0.261467 0.738533 0.261467 O\n0.738532 0.261468 0.738533 O\n0.261467 0.261468 0.738532 O\n0.738532 0.261468 0.261468 O\n0.738532 0.738533 0.261468 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Nb",
"O"
],
"chemical_system": "Ba-Er-Nb-O",
"density": 6.838685107966604,
"density_atomic": 0.06528613527664578,
"volume": 153.17187880130513,
"volume_molar": 9.224226146151196,
"formula_full": "Ba2 Er1 Nb1 O6",
"formula_reduced": "Ba2ErNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.162089234,
"spacegroup": 225
},
{
"id": "jvasp-57783",
"created_at": "2022-09-04T14:37:27.892081Z",
"updated_at": "2022-09-04T14:37:27.892103Z",
"structure_string": "K4 Co2 S4\n1.0\n5.892512 0.000457 -0.000283\n-0.000522 6.708022 -0.000387\n-2.945250 -3.353470 6.279591\nK Co S\n4 2 4\ndirect\n0.146759 0.483746 0.293561 K\n0.353228 0.190203 0.706412 K\n0.853241 0.516254 0.706439 K\n0.646772 0.809797 0.293588 K\n0.250006 0.000000 -0.000000 Co\n0.749994 0.000000 0.000001 Co\n0.600746 0.286245 0.201519 S\n0.100738 0.915231 0.201506 S\n0.899262 0.084769 0.798494 S\n0.399254 0.713756 0.798481 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Co",
"S"
],
"chemical_system": "Co-K-S",
"density": 2.6929790064173718,
"density_atomic": 0.04028996115685892,
"volume": 248.20078532881908,
"volume_molar": 14.947000659926916,
"formula_full": "K4 Co2 S4",
"formula_reduced": "K2CoS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9327133800000004,
"spacegroup": 72
},
{
"id": "jvasp-100904",
"created_at": "2022-09-04T14:37:09.112301Z",
"updated_at": "2022-09-04T14:37:09.112328Z",
"structure_string": "K2 Sc1 Ag1 F6\n1.0\n5.374814 -0.000000 3.103150\n1.791605 5.067423 3.103150\n-0.000000 -0.000000 6.206301\nK Sc Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Ag\n0.229388 0.229389 0.770611 F\n0.229388 0.770611 0.770612 F\n0.770610 0.770611 0.229389 F\n0.229388 0.770611 0.229389 F\n0.770610 0.229389 0.770612 F\n0.770610 0.229389 0.229389 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Ag",
"F"
],
"chemical_system": "Ag-F-K-Sc",
"density": 3.389212284723382,
"density_atomic": 0.05915842013615232,
"volume": 169.0376446325837,
"volume_molar": 10.179684897162776,
"formula_full": "K2 Sc1 Ag1 F6",
"formula_reduced": "K2ScAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9596",
"created_at": "2022-09-04T14:37:28.137050Z",
"updated_at": "2022-09-04T14:37:28.137069Z",
"structure_string": "Cd2 C2 O6\n1.0\n4.536377 -0.032286 4.114743\n1.803107 4.162759 4.114743\n-0.049552 -0.032286 6.124326\nCd C O\n2 2 6\ndirect\n0.500001 0.499999 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.750002 0.749999 0.749999 C\n0.250001 0.250000 0.250000 C\n0.750001 0.491144 0.008854 O\n0.008856 0.750000 0.491144 O\n0.508857 0.991144 0.249999 O\n0.250001 0.508854 0.991145 O\n0.991146 0.249999 0.508855 O\n0.491146 0.008854 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"C",
"O"
],
"chemical_system": "C-Cd-O",
"density": 4.884760487366467,
"density_atomic": 0.08530545268838707,
"volume": 117.22580075307818,
"volume_molar": 7.059502728387508,
"formula_full": "Cd2 C2 O6",
"formula_reduced": "CdCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1341480500000003,
"spacegroup": 167
},
{
"id": "jvasp-10302",
"created_at": "2022-09-04T14:37:10.360246Z",
"updated_at": "2022-09-04T14:37:10.360257Z",
"structure_string": "K4 Ge2 As4\n1.0\n6.073857 0.000000 -2.645158\n-1.303967 6.176596 -2.994189\n-0.025856 0.035694 8.236653\nK Ge As\n4 2 4\ndirect\n0.641920 0.306633 0.283839 K\n0.358080 0.693367 0.716160 K\n0.858080 0.022793 0.716160 K\n0.141919 0.977207 0.283839 K\n0.250000 0.500000 -0.000000 Ge\n0.750000 0.500000 -0.000000 Ge\n0.894117 0.568602 0.788234 As\n0.105883 0.431398 0.211765 As\n0.605883 0.780368 0.211765 As\n0.394117 0.219632 0.788234 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ge",
"As"
],
"chemical_system": "As-Ge-K",
"density": 3.2279547377208235,
"density_atomic": 0.03232541361970683,
"volume": 309.3541235897322,
"volume_molar": 18.629740769438037,
"formula_full": "K4 Ge2 As4",
"formula_reduced": "K2GeAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6742710899999999,
"spacegroup": 72
},
{
"id": "jvasp-12417",
"created_at": "2022-09-04T14:37:16.765482Z",
"updated_at": "2022-09-04T14:37:16.765503Z",
"structure_string": "Ba2 Pb2 O6\n1.0\n5.285577 -0.000000 3.050828\n1.779369 5.028727 3.021293\n-0.015170 -0.033663 6.130342\nBa Pb O\n2 2 6\ndirect\n0.750000 0.744389 0.755611 Ba\n0.250000 0.255612 0.244388 Ba\n0.500000 0.500001 0.499999 Pb\n0.000000 0.000000 0.000000 Pb\n0.710094 0.289907 0.789906 O\n0.789907 0.710094 0.210093 O\n0.289907 0.710094 0.210093 O\n0.210093 0.289907 0.789906 O\n0.250000 0.820072 0.679928 O\n0.750000 0.179929 0.320070 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Pb",
"O"
],
"chemical_system": "Ba-O-Pb",
"density": 7.971650181444958,
"density_atomic": 0.0611507229328602,
"volume": 163.53036432585426,
"volume_molar": 9.84802872504377,
"formula_full": "Ba2 Pb2 O6",
"formula_reduced": "BaPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1628274579999998,
"spacegroup": 74
},
{
"id": "jvasp-22537",
"created_at": "2022-09-04T14:37:15.741377Z",
"updated_at": "2022-09-04T14:37:15.741400Z",
"structure_string": "C2 Cl2 F6\n1.0\n4.642103 0.000000 0.000000\n-0.000000 5.669540 -1.688671\n0.000000 -0.030348 5.915604\nC Cl F\n2 2 6\ndirect\n0.001294 0.313411 0.686588 C\n0.501293 0.686589 0.313411 C\n0.099733 0.135431 0.864568 Cl\n0.599733 0.864569 0.135431 Cl\n0.711895 0.327433 0.672566 F\n0.211895 0.672566 0.327433 F\n0.106289 0.224141 0.465624 F\n0.606288 0.775859 0.534375 F\n0.106289 0.534375 0.775858 F\n0.606288 0.465625 0.224141 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"C",
"Cl",
"F"
],
"chemical_system": "C-Cl-F",
"density": 2.231654752549272,
"density_atomic": 0.06432835218978311,
"volume": 155.4524507405032,
"volume_molar": 9.361565398462766,
"formula_full": "C2 Cl2 F6",
"formula_reduced": "CClF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.936058983,
"spacegroup": 36
},
{
"id": "jvasp-102601",
"created_at": "2022-09-04T14:37:08.994676Z",
"updated_at": "2022-09-04T14:37:08.994694Z",
"structure_string": "Tb2 Fe4 Si2 C2\n1.0\n5.551297 -0.009005 0.000000\n-4.272484 3.544412 0.000000\n-0.000000 -0.000000 6.720423\nTb Fe Si C\n2 4 2 2\ndirect\n0.551452 0.448549 0.250000 Tb\n0.448550 0.551451 0.750000 Tb\n0.834895 0.165107 0.062556 Fe\n0.165107 0.834893 0.937443 Fe\n0.165107 0.834893 0.562556 Fe\n0.834895 0.165107 0.437443 Fe\n0.271047 0.728954 0.250000 Si\n0.728955 0.271047 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Tb",
"density": 7.819000676794771,
"density_atomic": 0.07577304849862465,
"volume": 131.9730458011269,
"volume_molar": 7.947602583403131,
"formula_full": "Tb2 Fe4 Si2 C2",
"formula_reduced": "TbFe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.6037756,
"spacegroup": 63
},
{
"id": "jvasp-12428",
"created_at": "2022-09-04T14:37:08.955115Z",
"updated_at": "2022-09-04T14:37:08.955135Z",
"structure_string": "In4 S6\n1.0\n5.872028 -0.004220 3.936776\n2.098125 5.484395 3.936776\n-0.006138 -0.004220 7.069574\nIn S\n4 6\ndirect\n0.856232 0.856234 0.856234 In\n0.643766 0.643767 0.643767 In\n0.143767 0.143767 0.143767 In\n0.356233 0.356234 0.356234 In\n0.047879 0.750001 0.452121 S\n0.750000 0.452121 0.047880 S\n0.452120 0.047880 0.750000 S\n0.952120 0.250000 0.547880 S\n0.547879 0.952121 0.250001 S\n0.249999 0.547880 0.952121 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 4.747551615303882,
"density_atomic": 0.04387308773966503,
"volume": 227.9301620924926,
"volume_molar": 13.726275195706066,
"formula_full": "In4 S6",
"formula_reduced": "In2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.882045988,
"spacegroup": 167
},
{
"id": "jvasp-100924",
"created_at": "2022-09-04T14:37:10.402409Z",
"updated_at": "2022-09-04T14:37:10.402440Z",
"structure_string": "Na2 Li1 Dy1 Cl6\n1.0\n6.208280 -0.000000 3.584352\n2.069427 5.853222 3.584352\n-0.000000 -0.000000 7.168704\nNa Li Dy Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Dy\n0.743678 0.256322 0.256321 Cl\n0.256322 0.256322 0.743678 Cl\n0.256322 0.743678 0.743677 Cl\n0.256322 0.743678 0.256321 Cl\n0.743678 0.256322 0.743677 Cl\n0.743679 0.743678 0.256321 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Dy",
"Cl"
],
"chemical_system": "Cl-Dy-Li-Na",
"density": 2.729144175030644,
"density_atomic": 0.03838778549888714,
"volume": 260.4995279107699,
"volume_molar": 15.687648249922054,
"formula_full": "Na2 Li1 Dy1 Cl6",
"formula_reduced": "Na2LiDyCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}