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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=118",
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"results": [
{
"id": "jvasp-42216",
"created_at": "2022-09-04T14:36:56.001862Z",
"updated_at": "2022-09-04T14:36:56.001892Z",
"structure_string": "Li4 Co4 O2 F12\n1.0\n5.303852 0.099438 0.082915\n0.966966 6.737850 -0.009268\n2.345760 2.485235 7.599997\nLi Co O F\n4 4 2 12\ndirect\n0.110605 0.444957 0.263012 Li\n0.580780 0.268358 0.320695 Li\n0.419221 0.731642 0.679305 Li\n0.889396 0.555042 0.736987 Li\n0.268716 0.007258 0.190687 Co\n0.752773 0.783618 0.297797 Co\n0.247227 0.216382 0.702202 Co\n0.731284 0.992741 0.809312 Co\n0.419589 0.864632 0.367383 O\n0.580412 0.135368 0.632616 O\n0.298133 0.081787 0.937764 F\n0.874938 0.261667 0.797217 F\n0.252858 0.496212 0.720503 F\n0.778128 0.682713 0.529320 F\n0.221873 0.317287 0.470679 F\n0.374011 0.280698 0.157122 F\n0.125063 0.738333 0.202782 F\n0.701868 0.918213 0.062236 F\n0.887546 0.069750 0.277154 F\n0.112455 0.930250 0.722845 F\n0.747143 0.503788 0.279497 F\n0.625989 0.719302 0.842877 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.2209381257827263,
"density_atomic": 0.08151899992964062,
"volume": 269.8757347242764,
"volume_molar": 7.38740755553642,
"formula_full": "Li4 Co4 O2 F12",
"formula_reduced": "Li2Co2OF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.8510906359090908,
"spacegroup": 2
},
{
"id": "jvasp-42218",
"created_at": "2022-09-04T14:36:56.153578Z",
"updated_at": "2022-09-04T14:36:56.153615Z",
"structure_string": "Fe6 O10 F2\n1.0\n4.375482 -0.030235 0.011622\n0.201769 5.248420 0.006152\n0.157104 0.559259 7.176649\nFe O F\n6 10 2\ndirect\n0.522978 0.678953 0.839903 Fe\n0.477021 0.321048 0.160096 Fe\n0.499999 0.000001 0.500000 Fe\n0.986105 0.150408 0.830471 Fe\n-0.000000 0.500000 0.500000 Fe\n0.013894 0.849593 0.169528 Fe\n0.200015 0.127230 0.062738 O\n0.193795 0.796831 0.396663 O\n0.296395 0.629961 0.062770 O\n0.296959 0.297227 0.395958 O\n0.304599 0.959727 0.731579 O\n0.695400 0.040274 0.268421 O\n0.703603 0.370040 0.937230 O\n0.799984 0.872771 0.937261 O\n0.806204 0.203171 0.603337 O\n0.703040 0.702774 0.604041 O\n0.792653 0.538115 0.268334 F\n0.207345 0.461886 0.731665 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.37026648357987,
"density_atomic": 0.10920499228286148,
"volume": 164.82762943086533,
"volume_molar": 5.514528808721055,
"formula_full": "Fe6 O10 F2",
"formula_reduced": "Fe3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.7510060313888887,
"spacegroup": 2
},
{
"id": "jvasp-57388",
"created_at": "2022-09-04T14:36:56.760853Z",
"updated_at": "2022-09-04T14:36:56.760874Z",
"structure_string": "Mn2 Bi2 As2 O10\n1.0\n5.384360 -0.055041 0.033692\n-2.311436 6.531659 -0.009990\n-0.737135 -2.683252 6.377986\nMn Bi As O\n2 2 2 10\ndirect\n0.675023 0.782457 0.636813 Mn\n0.324978 0.217544 0.363187 Mn\n0.924041 0.484437 0.245030 Bi\n0.075959 0.515564 0.754971 Bi\n0.352113 0.119872 0.822003 As\n0.647888 0.880129 0.177998 As\n0.729785 0.448414 0.496273 O\n0.568344 0.702438 0.916819 O\n0.431657 0.297563 0.083182 O\n0.224024 0.221266 0.656233 O\n0.270215 0.551587 0.503727 O\n0.775976 0.778734 0.343767 O\n0.356331 0.905487 0.240318 O\n0.090284 0.870679 0.784514 O\n0.643669 0.094513 0.759682 O\n0.909717 0.129322 0.215486 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mn",
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-Mn-O",
"density": 6.2175192629611935,
"density_atomic": 0.07151760168206359,
"volume": 223.72114869188567,
"volume_molar": 8.420501552571409,
"formula_full": "Mn2 Bi2 As2 O10",
"formula_reduced": "MnBiAsO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.6619638489224133,
"spacegroup": 2
},
{
"id": "jvasp-13419",
"created_at": "2022-09-04T14:36:56.779816Z",
"updated_at": "2022-09-04T14:36:56.779841Z",
"structure_string": "Sb8 S8 O4\n1.0\n5.880775 -0.056147 0.051646\n-2.787334 7.707246 0.003921\n-2.522330 -3.091309 10.002770\nSb S O\n8 8 4\ndirect\n0.336161 0.355844 0.100574 Sb\n0.663840 0.644157 0.899427 Sb\n0.360874 0.870282 0.134372 Sb\n0.639128 0.129718 0.865628 Sb\n0.982553 0.338440 0.367791 Sb\n0.017449 0.661560 0.632209 Sb\n0.963853 0.832028 0.366446 Sb\n0.036149 0.167972 0.633554 Sb\n0.482625 0.705307 0.304913 S\n0.517377 0.294694 0.695087 S\n0.497977 0.191291 0.298284 S\n0.502025 0.808709 0.701716 S\n0.225168 0.524292 0.912866 S\n0.774685 0.954688 0.087492 S\n0.774833 0.475708 0.087134 S\n0.225317 0.045313 0.912508 S\n0.961152 0.099584 0.430795 O\n0.926456 0.586788 0.428710 O\n0.073546 0.413212 0.571291 O\n0.038849 0.900416 0.569205 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 4.742119976664352,
"density_atomic": 0.044118286655482106,
"volume": 453.3267612176144,
"volume_molar": 13.649987831636915,
"formula_full": "Sb8 S8 O4",
"formula_reduced": "Sb2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.86639114,
"spacegroup": 2
},
{
"id": "jvasp-12160",
"created_at": "2022-09-04T14:36:56.952674Z",
"updated_at": "2022-09-04T14:36:56.952694Z",
"structure_string": "Al2 Si4 O11\n1.0\n2.670256 4.602355 -0.570601\n-2.479731 4.603478 0.383962\n-0.067179 0.003408 9.466700\nAl Si O\n2 4 11\ndirect\n0.312236 0.374911 -0.000191 Al\n0.687765 0.625088 0.000191 Al\n0.266294 0.745609 0.702236 Si\n0.733707 0.254391 0.297764 Si\n0.911593 0.452814 0.700869 Si\n0.088408 0.547185 0.299131 Si\n0.901153 0.415496 0.367586 O\n0.098848 0.584503 0.632414 O\n0.439985 0.339091 0.368228 O\n0.560016 0.660909 0.631772 O\n0.616402 0.393498 0.124991 O\n0.948400 0.476754 0.874328 O\n0.037819 0.107161 0.675916 O\n0.383598 0.606501 0.875009 O\n0.500000 -0.000001 0.000000 O\n0.051601 0.523245 0.125672 O\n0.962181 0.892838 0.324084 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si",
"density": 2.536198919748494,
"density_atomic": 0.07585394458809466,
"volume": 224.11491046792793,
"volume_molar": 7.939126689721526,
"formula_full": "Al2 Si4 O11",
"formula_reduced": "Al2Si4O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.950446382352941,
"spacegroup": 2
},
{
"id": "jvasp-12913",
"created_at": "2022-09-04T14:36:57.416883Z",
"updated_at": "2022-09-04T14:36:57.416912Z",
"structure_string": "Sb2 I4 F12\n1.0\n5.731680 0.123885 0.131891\n1.169031 7.893459 0.076433\n1.408432 1.591540 7.985302\nSb I F\n2 4 12\ndirect\n0.435630 0.300163 0.321608 Sb\n0.564369 0.699837 0.678391 Sb\n0.116938 0.247203 0.935836 I\n0.883062 0.752796 0.064163 I\n0.877183 0.111123 0.769282 I\n0.122816 0.888877 0.230717 I\n0.445217 0.825615 0.478198 F\n0.554783 0.174385 0.521801 F\n0.417233 0.879762 0.801877 F\n0.582767 0.120238 0.198123 F\n0.691090 0.580551 0.881835 F\n0.717673 0.413641 0.244941 F\n0.282327 0.586359 0.755058 F\n0.272141 0.484013 0.430654 F\n0.844516 0.819265 0.613260 F\n0.155483 0.180734 0.386739 F\n0.308910 0.419448 0.118164 F\n0.727858 0.515987 0.569346 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sb",
"I",
"F"
],
"chemical_system": "F-I-Sb",
"density": 4.538783521874178,
"density_atomic": 0.05024901162507802,
"volume": 358.2160010290959,
"volume_molar": 11.98459544823067,
"formula_full": "Sb2 I4 F12",
"formula_reduced": "Sb(IF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-107146",
"created_at": "2022-09-04T14:36:57.456410Z",
"updated_at": "2022-09-04T14:36:57.456426Z",
"structure_string": "Ca4 W2 N4\n1.0\n4.836463 -0.011631 -1.939564\n-2.753707 5.618159 0.053658\n-0.037003 -0.029326 6.611922\nCa W N\n4 2 4\ndirect\n0.096386 0.423384 0.781721 Ca\n0.903614 0.576615 0.218279 Ca\n0.288493 0.219323 0.339442 Ca\n0.711507 0.780677 0.660558 Ca\n0.426846 0.068159 0.809162 W\n0.573153 0.931840 0.190838 W\n0.585270 0.393597 0.776323 N\n0.414729 0.606402 0.223677 N\n0.188858 0.788654 0.605657 N\n0.811141 0.211345 0.394343 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"W",
"N"
],
"chemical_system": "Ca-N-W",
"density": 5.4209703158652225,
"density_atomic": 0.05589862228613829,
"volume": 178.89528562638287,
"volume_molar": 10.773325913424824,
"formula_full": "Ca4 W2 N4",
"formula_reduced": "Ca2WN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.535341467999999,
"spacegroup": 2
},
{
"id": "jvasp-12985",
"created_at": "2022-09-04T14:36:57.941294Z",
"updated_at": "2022-09-04T14:36:57.941317Z",
"structure_string": "Al4 Fe6 Si6\n1.0\n4.628344 -0.001163 -0.000435\n-1.172537 6.233632 -0.005873\n-2.165146 -1.979078 6.894743\nAl Fe Si\n4 6 6\ndirect\n0.414374 0.675499 0.053410 Al\n0.950099 0.357749 0.728839 Al\n0.049900 0.642251 0.271162 Al\n0.585624 0.324501 0.946590 Al\n0.634508 0.972918 0.767174 Fe\n0.365490 0.027082 0.232827 Fe\n0.863685 0.681846 0.943835 Fe\n0.136313 0.318154 0.056166 Fe\n0.958887 0.707425 0.582662 Fe\n0.041111 0.292575 0.417339 Fe\n0.542235 0.411629 0.347508 Si\n0.274551 0.040052 0.531087 Si\n0.457763 0.588371 0.652492 Si\n0.822919 0.024854 0.114270 Si\n0.177079 0.975146 0.885731 Si\n0.725447 0.959948 0.468914 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Si"
],
"chemical_system": "Al-Fe-Si",
"density": 5.106463638219447,
"density_atomic": 0.08046150767696543,
"volume": 198.85284854761042,
"volume_molar": 7.484499028004198,
"formula_full": "Al4 Fe6 Si6",
"formula_reduced": "Al2(FeSi)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.3045672375,
"spacegroup": 2
},
{
"id": "jvasp-12986",
"created_at": "2022-09-04T14:36:58.054619Z",
"updated_at": "2022-09-04T14:36:58.054633Z",
"structure_string": "Bi2 Te4 Br8\n1.0\n7.208713 0.082879 0.034146\n-0.551777 7.610953 -0.147826\n-1.949771 -0.594004 9.077099\nBi Te Br\n2 4 8\ndirect\n0.285959 0.095663 0.615130 Bi\n0.714040 0.904337 0.384870 Bi\n0.890283 0.552075 0.802106 Te\n0.109717 0.447926 0.197894 Te\n0.762838 0.364973 0.006339 Te\n0.237161 0.635027 0.993661 Te\n0.554526 0.554564 0.319726 Br\n0.445474 0.445437 0.680274 Br\n0.788599 0.917977 0.110436 Br\n0.211400 0.082023 0.889564 Br\n0.639324 0.948061 0.701843 Br\n0.360675 0.051939 0.298157 Br\n0.068241 0.745874 0.531372 Br\n0.931759 0.254126 0.468628 Br\n",
"nsites": 14,
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"elements": [
"Bi",
"Te",
"Br"
],
"chemical_system": "Bi-Br-Te",
"density": 5.223434366967459,
"density_atomic": 0.028093239409570012,
"volume": 498.3405365217823,
"volume_molar": 21.4362632667721,
"formula_full": "Bi2 Te4 Br8",
"formula_reduced": "Bi(TeBr2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3208737504761905,
"spacegroup": 2
},
{
"id": "jvasp-43184",
"created_at": "2022-09-04T14:36:58.531698Z",
"updated_at": "2022-09-04T14:36:58.531726Z",
"structure_string": "Li6 Fe2 O2 F6\n1.0\n-2.922712 0.011436 -0.007288\n1.427157 4.905855 -0.033081\n-0.039383 -1.850009 -9.911652\nLi Fe O F\n6 2 2 6\ndirect\n0.756327 0.507918 0.131914 Li\n0.498201 0.001483 0.249991 Li\n0.498132 0.001386 0.749966 Li\n0.989026 -0.002302 0.496339 Li\n0.240043 0.495010 0.368078 Li\n0.007330 0.005157 0.003631 Li\n0.718534 0.487463 0.646454 Fe\n0.277815 0.515354 0.853522 Fe\n0.904770 0.776689 0.821003 O\n0.091553 0.226121 0.678971 O\n0.871493 0.749139 0.311387 F\n0.610945 0.244330 0.428161 F\n0.633930 0.268349 0.951498 F\n0.124931 0.253809 0.188610 F\n0.385463 0.758602 0.071829 F\n0.362437 0.734529 0.548495 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.4886027057218305,
"density_atomic": 0.11229982752797828,
"volume": 142.47573083773236,
"volume_molar": 5.362555662429357,
"formula_full": "Li6 Fe2 O2 F6",
"formula_reduced": "Li3FeOF3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 0.7718524809375,
"spacegroup": 2
},
{
"id": "jvasp-50062",
"created_at": "2022-09-04T14:36:58.549611Z",
"updated_at": "2022-09-04T14:36:58.549638Z",
"structure_string": "Li2 Sb2 P2 H2 O10\n1.0\n5.252587 -0.022647 0.006497\n-0.799257 5.786888 0.004272\n-2.353156 -2.523825 7.056091\nLi Sb P H O\n2 2 2 2 10\ndirect\n0.735462 0.400447 0.834473 Li\n0.264538 0.599553 0.165527 Li\n-0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.678779 0.375246 0.222759 P\n0.321220 0.624754 0.777241 P\n0.397427 0.046617 0.327096 H\n0.602573 0.953384 0.672904 H\n0.671704 0.636670 0.335504 O\n0.605827 0.727627 0.941622 O\n0.091794 0.617059 0.866028 O\n0.908205 0.382942 0.133972 O\n0.787857 0.070847 0.722859 O\n0.328296 0.363330 0.664496 O\n0.715646 0.207795 0.346251 O\n0.284354 0.792206 0.653749 O\n0.394173 0.272374 0.058378 O\n0.212143 0.929154 0.277141 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Sb",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-Sb",
"density": 3.7262660406378605,
"density_atomic": 0.08391272128264272,
"volume": 214.5085956558447,
"volume_molar": 7.176671984830119,
"formula_full": "Li2 Sb2 P2 H2 O10",
"formula_reduced": "LiSbPHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.4088021222222222,
"spacegroup": 2
},
{
"id": "jvasp-101894",
"created_at": "2022-09-04T14:36:58.738495Z",
"updated_at": "2022-09-04T14:36:58.738519Z",
"structure_string": "Ca2 H8 C8 O8\n1.0\n5.103947 -0.064441 -0.752002\n-1.916407 5.985854 -2.207102\n0.030915 -0.153800 8.337135\nCa H C O\n2 8 8 8\ndirect\n0.528868 0.212559 0.716651 Ca\n0.028867 0.712558 0.716651 Ca\n0.741457 0.187990 0.225947 H\n0.241457 0.687989 0.225947 H\n0.545906 0.011683 0.308278 H\n0.045904 0.511683 0.308277 H\n0.816333 0.737160 0.207352 H\n0.316333 0.237160 0.207352 H\n0.011876 0.913469 0.125018 H\n0.511877 0.413469 0.125018 H\n0.307419 0.363238 0.150727 C\n0.807419 0.863238 0.150727 C\n0.250364 0.561910 0.282572 C\n0.750365 0.061910 0.282572 C\n0.591159 0.739416 0.975881 C\n0.466613 0.685730 0.457421 C\n0.966614 0.185732 0.457422 C\n0.091159 0.239416 0.975880 C\n0.895255 0.313219 0.588757 O\n0.205618 0.169125 0.469046 O\n0.705618 0.669125 0.469046 O\n0.352176 0.756065 0.964260 O\n0.852178 0.256065 0.964260 O\n0.662480 0.611886 0.844543 O\n0.162480 0.111886 0.844544 O\n0.395254 0.813220 0.588757 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.058933583968353,
"density_atomic": 0.10322720272053308,
"volume": 251.87159309537603,
"volume_molar": 5.833869950253072,
"formula_full": "Ca2 H8 C8 O8",
"formula_reduced": "CaH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 4.038042647692308,
"spacegroup": 2
}
]
}