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=-volume&page=1058",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1056",
"results": [
{
"id": "jvasp-112012",
"created_at": "2022-09-04T14:38:41.729546Z",
"updated_at": "2022-09-04T14:38:41.729564Z",
"structure_string": "Ca2 H8 C8 O8\n1.0\n4.263746 -0.072938 0.123092\n-0.147678 6.660730 2.883090\n-0.131155 0.093422 8.483161\nCa H C O\n2 8 8 8\ndirect\n0.786911 0.575744 0.702569 Ca\n0.786912 0.075744 0.702569 Ca\n0.464953 0.909735 0.237580 H\n0.464954 0.409735 0.237580 H\n0.493035 0.107792 0.304848 H\n0.493035 0.607792 0.304848 H\n0.948858 0.212627 0.196754 H\n0.948857 0.712627 0.196754 H\n0.914291 0.014468 0.131740 H\n0.914291 0.514468 0.131740 H\n0.086192 0.618461 0.149327 C\n0.086192 0.118461 0.149327 C\n0.325802 0.504408 0.282523 C\n0.325803 0.004408 0.282524 C\n0.209570 0.258994 0.970947 C\n0.176492 0.373763 0.456839 C\n0.176489 0.873765 0.456839 C\n0.209567 0.758992 0.970947 C\n0.311559 0.714346 0.557726 O\n0.909879 0.921543 0.498377 O\n0.909878 0.421543 0.498377 O\n0.453410 0.369936 0.950319 O\n0.453412 0.869937 0.950318 O\n0.037454 0.267527 0.844349 O\n0.037455 0.767527 0.844349 O\n0.311557 0.214348 0.557725 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.162467923980651,
"density_atomic": 0.1084180259642761,
"volume": 239.8125198162807,
"volume_molar": 5.554556732092046,
"formula_full": "Ca2 H8 C8 O8",
"formula_reduced": "CaH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 4.039592647692308,
"spacegroup": 1
},
{
"id": "jvasp-28543",
"created_at": "2022-09-04T14:37:38.605424Z",
"updated_at": "2022-09-04T14:37:38.605448Z",
"structure_string": "Mo2 W1 S6\n1.0\n3.191355 0.000000 0.000000\n-1.595678 2.763803 0.000000\n0.000000 0.000000 27.188486\nMo W S\n2 1 6\ndirect\n0.333312 0.666624 0.117022 Mo\n0.333312 0.666624 0.576944 Mo\n0.666686 0.333371 0.346982 W\n0.333352 0.666705 0.404944 S\n0.666646 0.333290 0.059442 S\n0.666647 0.333292 0.519314 S\n0.666647 0.333292 0.174651 S\n0.666646 0.333290 0.634522 S\n0.333352 0.666705 0.289022 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-W",
"density": 3.9338183884750038,
"density_atomic": 0.03752971653565971,
"volume": 239.80996476348142,
"volume_molar": 16.046326260625836,
"formula_full": "Mo2 W1 S6",
"formula_reduced": "Mo2WS6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.011573533333333,
"spacegroup": 187
},
{
"id": "jvasp-51743",
"created_at": "2022-09-04T14:38:14.121156Z",
"updated_at": "2022-09-04T14:38:14.121174Z",
"structure_string": "Li8 H6 Cl2 O6\n1.0\n0.000000 5.352658 -0.068893\n7.300702 0.000000 0.000000\n0.000000 -0.390596 -6.130747\nLi H Cl O\n8 6 2 6\ndirect\n0.069679 0.750000 0.916117 Li\n0.930321 0.250000 0.083883 Li\n0.395820 0.750000 0.666388 Li\n0.604180 0.250000 0.333612 Li\n0.649200 0.516212 0.855478 Li\n0.350799 0.016212 0.144522 Li\n0.350799 0.483788 0.144522 Li\n0.649200 0.983788 0.855478 Li\n0.813685 0.957094 0.240026 H\n0.186315 0.457094 0.759974 H\n0.186315 0.042906 0.759974 H\n0.813685 0.542906 0.240026 H\n0.159185 0.250000 0.393009 H\n0.840815 0.750000 0.606991 H\n0.168741 0.750000 0.321517 Cl\n0.831258 0.250000 0.678483 Cl\n0.753202 0.750000 0.742929 O\n0.246797 0.250000 0.257071 O\n0.286995 0.547385 0.842207 O\n0.713004 0.047385 0.157793 O\n0.713004 0.452615 0.157793 O\n0.286995 0.952615 0.842207 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Li-O",
"density": 1.5823045235212958,
"density_atomic": 0.09175277086616498,
"volume": 239.77477510832082,
"volume_molar": 6.563442938180239,
"formula_full": "Li8 H6 Cl2 O6",
"formula_reduced": "Li4H3ClO3",
"formula_anonymous": "AB3C3D4",
"energy_above_hull": 1.8051913243181816,
"spacegroup": 11
},
{
"id": "jvasp-21841",
"created_at": "2022-09-04T14:37:33.679329Z",
"updated_at": "2022-09-04T14:37:33.679346Z",
"structure_string": "Yb1 Fe4 P12\n1.0\n6.390841 0.000000 -2.259503\n-3.195421 5.534630 -2.259503\n0.000000 0.000000 6.778510\nYb Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.648085 0.498641 0.850556 P\n0.850556 0.351914 0.202471 P\n0.648086 0.797530 0.149445 P\n0.498641 0.850556 0.648086 P\n0.149444 0.648086 0.797530 P\n0.501358 0.149444 0.351915 P\n0.351914 0.501358 0.149444 P\n0.149444 0.351914 0.501359 P\n0.797530 0.149444 0.648086 P\n0.202470 0.850556 0.351915 P\n0.351914 0.202470 0.850556 P\n0.850556 0.648086 0.498642 P\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Yb",
"Fe",
"P"
],
"chemical_system": "Fe-P-Yb",
"density": 5.319721841699732,
"density_atomic": 0.07090356547321401,
"volume": 239.76227269448486,
"volume_molar": 8.493424441786427,
"formula_full": "Yb1 Fe4 P12",
"formula_reduced": "Yb(FeP3)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.5516781588235293,
"spacegroup": 204
},
{
"id": "jvasp-107777",
"created_at": "2022-09-04T14:35:53.518950Z",
"updated_at": "2022-09-04T14:35:53.518975Z",
"structure_string": "Mg2 Sc2 Se6\n1.0\n5.984489 0.025230 4.053720\n2.163491 5.579789 4.053720\n0.036676 0.025230 7.228099\nMg Sc Se\n2 2 6\ndirect\n0.153813 0.153813 0.153813 Mg\n0.846187 0.846187 0.846187 Mg\n0.339392 0.339392 0.339392 Sc\n0.660609 0.660608 0.660608 Sc\n0.925895 0.567400 0.255958 Se\n0.074105 0.432600 0.744042 Se\n0.567400 0.255958 0.925895 Se\n0.432600 0.744042 0.074105 Se\n0.255959 0.925895 0.567400 Se\n0.744042 0.074105 0.432600 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Se"
],
"chemical_system": "Mg-Sc-Se",
"density": 4.240726642639104,
"density_atomic": 0.041709963899696584,
"volume": 239.75086682040364,
"volume_molar": 14.438134673244843,
"formula_full": "Mg2 Sc2 Se6",
"formula_reduced": "MgScSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.00423888,
"spacegroup": 148
},
{
"id": "jvasp-112644",
"created_at": "2022-09-04T14:38:43.014280Z",
"updated_at": "2022-09-04T14:38:43.014320Z",
"structure_string": "Sr4 Nb2 Co2 O12\n1.0\n5.317774 0.037920 1.533687\n2.404332 4.743303 1.533750\n0.116063 0.071799 9.585489\nSr Nb Co O\n4 2 2 12\ndirect\n0.000008 0.000007 0.000001 Sr\n0.499990 0.499991 0.500000 Sr\n0.250008 0.250008 0.250001 Sr\n0.749991 0.749993 0.749999 Sr\n0.625012 0.625011 0.125001 Nb\n0.124987 0.124988 0.625000 Nb\n0.374999 0.375000 0.875001 Co\n0.874999 0.874999 0.375001 Co\n0.508464 -0.002818 0.497183 O\n0.008485 0.497196 -0.002804 O\n0.252803 0.741515 0.752809 O\n0.752818 0.241533 0.252821 O\n-0.002820 0.508466 0.497180 O\n0.252787 0.252794 0.752843 O\n0.997182 0.997179 0.497174 O\n0.497212 0.497206 0.997157 O\n0.241535 0.752817 0.252818 O\n0.752816 0.752820 0.252827 O\n0.497196 0.008485 -0.002808 O\n0.741514 0.252804 0.752805 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.860550601834684,
"density_atomic": 0.08342014851480922,
"volume": 239.75023248069962,
"volume_molar": 7.219048236207486,
"formula_full": "Sr4 Nb2 Co2 O12",
"formula_reduced": "Sr2NbCoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3813093919999995,
"spacegroup": 225
},
{
"id": "jvasp-96777",
"created_at": "2022-09-04T14:36:33.956926Z",
"updated_at": "2022-09-04T14:36:33.956946Z",
"structure_string": "Ni8 Sn4 P4\n1.0\n3.597985 0.000000 0.000000\n-0.000000 5.111135 0.000000\n0.000000 0.000000 13.036547\nNi Sn P\n8 4 4\ndirect\n0.250000 0.501057 0.113806 Ni\n0.749999 0.498944 0.886195 Ni\n0.749999 0.001056 0.386194 Ni\n0.250000 -0.001056 0.613806 Ni\n0.749999 0.514505 0.421355 Ni\n0.250000 0.485496 0.578645 Ni\n0.250000 0.014504 0.078645 Ni\n0.749999 0.985497 0.921355 Ni\n0.250000 0.293953 0.295079 Sn\n0.749999 0.706048 0.704922 Sn\n0.749999 0.793954 0.204921 Sn\n0.250000 0.206047 0.795079 Sn\n0.749999 0.286328 0.043303 P\n0.250000 0.713673 0.956697 P\n0.250000 0.786329 0.456697 P\n0.749999 0.213672 0.543303 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ni",
"Sn",
"P"
],
"chemical_system": "Ni-P-Sn",
"density": 7.399388561081607,
"density_atomic": 0.0667391555766694,
"volume": 239.73932336646556,
"volume_molar": 9.023399693875078,
"formula_full": "Ni8 Sn4 P4",
"formula_reduced": "Ni2SnP",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.268728,
"spacegroup": 62
},
{
"id": "jvasp-64035",
"created_at": "2022-09-04T14:36:09.516132Z",
"updated_at": "2022-09-04T14:36:09.516149Z",
"structure_string": "Ba4 Bi1 W1\n1.0\n0.000000 4.930523 4.930523\n4.930523 0.000000 4.930523\n4.930523 4.930523 0.000000\nBa Bi W\n4 1 1\ndirect\n0.125405 0.624864 0.624864 Ba\n0.624864 0.624864 0.624864 Ba\n0.624864 0.125405 0.624864 Ba\n0.624864 0.624864 0.125405 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"W"
],
"chemical_system": "Ba-Bi-W",
"density": 6.5260474963672594,
"density_atomic": 0.025028930224256528,
"volume": 239.72259086747394,
"volume_molar": 24.06071975926364,
"formula_full": "Ba4 Bi1 W1",
"formula_reduced": "Ba4BiW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6051080299999998,
"spacegroup": 216
},
{
"id": "jvasp-111752",
"created_at": "2022-09-04T14:38:41.221038Z",
"updated_at": "2022-09-04T14:38:41.221069Z",
"structure_string": "Ba2 Hf2 F12\n1.0\n6.939691 -0.077571 0.000000\n-2.694776 6.395585 -0.000000\n-0.000000 0.000000 5.426681\nBa Hf F\n2 2 12\ndirect\n0.249999 0.749999 0.433073 Ba\n0.750000 0.250000 0.566927 Ba\n0.749999 0.750000 0.000000 Hf\n0.250000 0.250000 0.000000 Hf\n0.681254 0.934166 0.245940 F\n0.318746 0.065833 0.754060 F\n0.818745 0.565833 0.245940 F\n0.565833 0.818745 0.754060 F\n0.181254 0.434166 0.754060 F\n0.434166 0.181254 0.245940 F\n0.934166 0.681254 0.754060 F\n0.065833 0.318745 0.245940 F\n0.437285 0.562714 0.162719 F\n0.562714 0.437286 0.837281 F\n0.062713 0.937285 0.162719 F\n0.937286 0.062714 0.837281 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"F"
],
"chemical_system": "Ba-F-Hf",
"density": 5.954544809959175,
"density_atomic": 0.06674451006255452,
"volume": 239.7200906112641,
"volume_molar": 9.022675804131168,
"formula_full": "Ba2 Hf2 F12",
"formula_reduced": "BaHfF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.124776333125,
"spacegroup": 67
},
{
"id": "jvasp-46381",
"created_at": "2022-09-04T14:38:09.049859Z",
"updated_at": "2022-09-04T14:38:09.049885Z",
"structure_string": "Tm4 Mn4 O14\n1.0\n-0.000000 4.930425 4.930425\n4.930425 0.000000 4.930425\n4.930425 4.930425 0.000000\nTm Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.919560 0.330441 0.919560 O\n0.625001 0.625001 0.625001 O\n0.330441 0.330441 0.919560 O\n0.919560 0.919560 0.330441 O\n0.330441 0.919560 0.330441 O\n0.080441 0.669560 0.080441 O\n0.080441 0.080441 0.669560 O\n0.375000 0.375000 0.375000 O\n0.669560 0.669560 0.080441 O\n0.080441 0.669560 0.669560 O\n0.919560 0.330441 0.330441 O\n0.669560 0.080441 0.080441 O\n0.669560 0.080441 0.669560 O\n0.330441 0.919560 0.919560 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"O"
],
"chemical_system": "Mn-O-Tm",
"density": 7.755014441855485,
"density_atomic": 0.09177821664998233,
"volume": 239.70829683804098,
"volume_molar": 6.561623204084298,
"formula_full": "Tm4 Mn4 O14",
"formula_reduced": "Tm2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.824146134796238,
"spacegroup": 227
},
{
"id": "jvasp-91395",
"created_at": "2022-09-04T14:36:19.717407Z",
"updated_at": "2022-09-04T14:36:19.717433Z",
"structure_string": "Fe4 Co4 B4 O16\n1.0\n2.941061 0.000000 0.000000\n-0.000000 8.895820 0.000000\n0.000000 0.000000 9.161925\nFe Co B O\n4 4 4 16\ndirect\n0.750000 0.380416 0.434372 Fe\n0.250000 0.619584 0.565627 Fe\n0.750000 0.880416 0.065627 Fe\n0.250000 0.119584 0.934372 Fe\n0.750000 0.388187 0.796248 Co\n0.250000 0.611813 0.203752 Co\n0.750000 0.888187 0.703751 Co\n0.250000 0.111813 0.296248 Co\n0.250000 0.157406 0.619872 B\n0.750000 0.842594 0.380127 B\n0.250000 0.657406 0.880127 B\n0.750000 0.342594 0.119873 B\n0.250000 0.509012 0.385882 O\n0.750000 0.490988 0.614118 O\n0.250000 0.232193 0.486985 O\n0.750000 0.767807 0.513014 O\n0.250000 0.732193 0.013015 O\n0.750000 0.267807 0.986985 O\n0.250000 0.239981 0.749688 O\n0.250000 0.504556 0.872573 O\n0.250000 0.739981 0.750311 O\n0.750000 0.260019 0.249688 O\n0.250000 0.004556 0.627426 O\n0.750000 0.995444 0.372574 O\n0.750000 0.990988 0.885881 O\n0.750000 0.495444 0.127426 O\n0.750000 0.760019 0.250312 O\n0.250000 0.009012 0.114118 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Fe",
"Co",
"B",
"O"
],
"chemical_system": "B-Co-Fe-O",
"density": 5.253399426775581,
"density_atomic": 0.1168103378678625,
"volume": 239.70481132991836,
"volume_molar": 5.155486123850039,
"formula_full": "Fe4 Co4 B4 O16",
"formula_reduced": "FeCoBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 3.1681818547619054,
"spacegroup": 62
},
{
"id": "jvasp-21560",
"created_at": "2022-09-04T14:36:55.777262Z",
"updated_at": "2022-09-04T14:36:55.777292Z",
"structure_string": "Cu4 As4 S4\n1.0\n3.831679 0.000000 0.000000\n0.000000 5.476636 0.000000\n0.000000 0.000000 11.421658\nCu As S\n4 4 4\ndirect\n0.279441 0.438986 0.676528 Cu\n0.779441 0.938987 0.823473 Cu\n0.779441 0.561014 0.323472 Cu\n0.279441 0.061014 0.176528 Cu\n0.779639 0.650912 0.984844 As\n0.279639 0.150911 0.515156 As\n0.779639 0.849089 0.484844 As\n0.279639 0.349089 0.015156 As\n0.779501 0.828026 0.167820 S\n0.779501 0.671975 0.667820 S\n0.279501 0.171975 0.832180 S\n0.279501 0.328026 0.332180 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"As",
"S"
],
"chemical_system": "As-Cu-S",
"density": 4.72589811776919,
"density_atomic": 0.05006671514852931,
"volume": 239.68019400514825,
"volume_molar": 12.028232214025923,
"formula_full": "Cu4 As4 S4",
"formula_reduced": "CuAsS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0530073999999998,
"spacegroup": 62
}
]
}