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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4510",
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"results": [
{
"id": "jvasp-32393",
"created_at": "2022-09-04T14:37:53.093506Z",
"updated_at": "2022-09-04T14:37:53.093516Z",
"structure_string": "Ru2 C8 O8 F12\n1.0\n5.221149 0.032605 0.675638\n0.479267 8.743712 0.750646\n0.408832 -0.374453 8.245902\nRu C O F\n2 8 8 12\ndirect\n0.322336 0.536095 0.440133 Ru\n0.677664 0.463905 0.559868 Ru\n0.978068 0.702620 0.098762 C\n0.021932 0.297380 0.901238 C\n0.799906 0.624392 0.241867 C\n0.200095 0.375608 0.758134 C\n0.537419 0.233415 0.361101 C\n0.462582 0.766585 0.638899 C\n0.458514 0.923994 0.715854 C\n0.541487 0.076005 0.284147 C\n0.561031 0.629280 0.241128 O\n0.291021 0.743971 0.554382 O\n0.708979 0.256028 0.445619 O\n0.088760 0.437133 0.643287 O\n0.357141 0.328232 0.331054 O\n0.911240 0.562867 0.356713 O\n0.438970 0.370719 0.758872 O\n0.642859 0.671767 0.668946 O\n0.846917 0.760627 -0.017502 F\n0.153084 0.239372 0.017503 F\n0.645617 0.084114 0.121966 F\n0.314372 0.031720 0.642918 F\n0.170702 0.602061 0.027142 F\n0.829298 0.397939 0.972858 F\n0.090485 0.815625 0.159808 F\n0.299658 0.029989 0.298732 F\n0.700343 0.970011 0.701269 F\n0.685628 0.968279 0.357083 F\n0.354383 0.915886 0.878035 F\n0.909515 0.184375 0.840193 F\n",
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"elements": [
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],
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"density": 2.894896623182805,
"density_atomic": 0.07994542018780812,
"volume": 375.256017537013,
"volume_molar": 7.532815195483069,
"formula_full": "Ru2 C8 O8 F12",
"formula_reduced": "RuC4(O2F3)2",
"formula_anonymous": "AB4C4D6",
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"spacegroup": 2
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{
"id": "jvasp-40677",
"created_at": "2022-09-04T14:37:53.597840Z",
"updated_at": "2022-09-04T14:37:53.597860Z",
"structure_string": "Li6 Mn5 Co1 O12\n1.0\n4.990931 -0.016429 -0.024323\n2.072783 4.540049 0.038018\n1.055500 0.917625 9.876412\nLi Mn Co O\n6 5 1 12\ndirect\n0.365353 0.044908 0.764269 Li\n0.032785 0.713963 0.764873 Li\n0.271359 0.649152 0.237894 Li\n0.634645 0.955093 0.235731 Li\n0.728639 0.350849 0.762106 Li\n0.967213 0.286038 0.235127 Li\n0.330092 0.329889 -0.000071 Mn\n0.167737 0.664902 0.501899 Mn\n0.500000 0.000000 0.500000 Mn\n0.669907 0.670111 0.000072 Mn\n0.832261 0.335099 0.498101 Mn\n0.000000 0.000000 0.000000 Co\n0.186714 0.942414 0.613963 O\n0.051855 0.322450 0.882991 O\n0.147395 0.391852 0.387134 O\n0.283591 0.012566 0.116957 O\n0.716408 0.987435 0.883043 O\n0.521359 0.275508 0.612483 O\n0.346488 0.687205 0.898918 O\n0.653511 0.312796 0.101082 O\n0.478640 0.724494 0.387518 O\n0.813285 0.057587 0.386038 O\n0.852603 0.608149 0.612867 O\n0.948143 0.677551 0.117010 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.20476719513163,
"density_atomic": 0.10713225324625511,
"volume": 224.02217140746023,
"volume_molar": 5.621221039902387,
"formula_full": "Li6 Mn5 Co1 O12",
"formula_reduced": "Li6Mn5CoO12",
"formula_anonymous": "AB5C6D12",
"energy_above_hull": 2.980705379454023,
"spacegroup": 2
},
{
"id": "jvasp-25917",
"created_at": "2022-09-04T14:37:53.991110Z",
"updated_at": "2022-09-04T14:37:53.991126Z",
"structure_string": "Rb2 Al2 As4 O14\n1.0\n6.311594 -0.010199 -0.021061\n-1.402544 6.247458 0.037355\n-2.045475 -1.427185 7.904894\nRb Al As O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 -0.000000 0.500000 Rb\n0.620089 0.309935 0.773182 Al\n0.379912 0.690065 0.226818 Al\n0.171993 0.469500 0.812485 As\n0.828008 0.530499 0.187516 As\n0.506707 0.754631 0.662565 As\n0.493294 0.245369 0.337436 As\n0.216301 0.631538 0.651287 O\n0.672533 0.616924 0.780079 O\n0.783700 0.368461 0.348713 O\n0.538738 0.748903 0.465599 O\n0.666630 0.711783 0.182033 O\n0.427395 0.992920 0.224544 O\n0.572606 0.007080 0.775457 O\n0.097715 0.685137 0.273125 O\n0.327467 0.383075 0.219920 O\n0.222356 0.650741 0.989796 O\n0.461263 0.251097 0.534401 O\n0.333371 0.288216 0.817967 O\n0.902286 0.314862 0.726876 O\n0.777644 0.349258 0.010204 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Al",
"As",
"O"
],
"chemical_system": "Al-As-O-Rb",
"density": 3.9890393600742056,
"density_atomic": 0.07060014822763105,
"volume": 311.614076631496,
"volume_molar": 8.529926510328616,
"formula_full": "Rb2 Al2 As4 O14",
"formula_reduced": "RbAlAs2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.276290072727273,
"spacegroup": 2
},
{
"id": "jvasp-600",
"created_at": "2022-09-04T14:37:54.298763Z",
"updated_at": "2022-09-04T14:37:54.298782Z",
"structure_string": "Re4 Se8\n1.0\n6.677944 -0.003009 -0.001699\n-3.280362 5.955637 0.000263\n-1.763156 -1.229723 6.510137\nRe Se\n4 8\ndirect\n0.063956 0.315488 0.491765 Re\n0.936043 0.684513 0.508235 Re\n0.486989 0.290872 0.497068 Re\n0.513010 0.709129 0.502932 Re\n0.247635 0.381391 0.208213 Se\n0.752364 0.618610 0.791787 Se\n0.720731 0.338901 0.241258 Se\n0.279268 0.661099 0.758742 Se\n0.226255 0.109558 0.721784 Se\n0.773745 0.890443 0.278215 Se\n0.754623 0.136450 0.694912 Se\n0.245376 0.863550 0.305088 Se\n",
"nsites": 12,
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"elements": [
"Re",
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],
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"density": 8.831049564476066,
"density_atomic": 0.046362380941504217,
"volume": 258.8305379557727,
"volume_molar": 12.989282771301548,
"formula_full": "Re4 Se8",
"formula_reduced": "ReSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.749338244444444,
"spacegroup": 2
},
{
"id": "jvasp-110320",
"created_at": "2022-09-04T14:37:54.801932Z",
"updated_at": "2022-09-04T14:37:54.801956Z",
"structure_string": "V2 Cu1 O6\n1.0\n3.567406 -0.028201 0.194451\n-1.495002 4.341403 -1.689319\n0.005431 -0.122542 6.467874\nV Cu O\n2 1 6\ndirect\n0.829270 0.623168 0.350200 V\n0.170731 0.376832 0.649799 V\n0.000000 0.000000 0.000000 Cu\n0.980493 0.950882 0.281621 O\n0.019508 0.049118 0.718378 O\n0.723619 0.315615 0.107941 O\n0.276382 0.684385 0.892058 O\n0.685757 0.384931 0.567926 O\n0.314244 0.615069 0.432073 O\n",
"nsites": 9,
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"elements": [
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-V",
"density": 4.376449507618792,
"density_atomic": 0.09073347683782408,
"volume": 99.19161387462856,
"volume_molar": 6.637176232939802,
"formula_full": "V2 Cu1 O6",
"formula_reduced": "V2CuO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.762712205555556,
"spacegroup": 2
},
{
"id": "jvasp-40698",
"created_at": "2022-09-04T14:37:54.862976Z",
"updated_at": "2022-09-04T14:37:54.863002Z",
"structure_string": "Li6 Mn5 Co1 O12\n1.0\n5.044339 -0.009975 0.198739\n-2.161245 -4.561866 -0.127897\n-1.482593 0.414646 -10.199827\nLi Mn Co O\n6 5 1 12\ndirect\n0.718158 0.976039 0.214454 Li\n0.056461 0.653042 0.219616 Li\n0.626907 0.698836 0.786365 Li\n0.281842 0.023960 0.785547 Li\n0.373092 0.301163 0.213636 Li\n0.943539 0.346957 0.780385 Li\n0.669337 0.332876 0.000194 Mn\n0.831447 0.668402 0.500012 Mn\n0.500000 -0.000001 0.500000 Mn\n0.330662 0.667123 0.999806 Mn\n0.168553 0.331597 0.499989 Mn\n0.000000 0.000000 0.000000 Co\n0.759379 0.962599 0.396003 O\n0.996654 0.296519 0.116863 O\n0.863968 0.332777 0.592909 O\n0.666381 0.042872 0.884444 O\n0.333619 0.957127 0.115557 O\n0.427453 0.293385 0.395851 O\n0.660449 0.620487 0.116877 O\n0.339551 0.379512 0.883123 O\n0.572547 0.706614 0.604150 O\n0.240621 0.037401 0.603997 O\n0.136032 0.667222 0.407092 O\n0.003345 0.703481 0.883137 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.031028780507332,
"density_atomic": 0.10270561391752277,
"volume": 233.67758669232123,
"volume_molar": 5.863497164659422,
"formula_full": "Li6 Mn5 Co1 O12",
"formula_reduced": "Li6Mn5CoO12",
"formula_anonymous": "AB5C6D12",
"energy_above_hull": 2.9806062127873565,
"spacegroup": 2
},
{
"id": "jvasp-26728",
"created_at": "2022-09-04T14:37:55.171024Z",
"updated_at": "2022-09-04T14:37:55.171048Z",
"structure_string": "Rb1 Au1 S2 O8\n1.0\n-4.237159 0.002262 0.020615\n1.357309 4.787682 0.005396\n-0.216746 -1.985650 -8.651590\nRb Au S O\n1 1 2 8\ndirect\n-0.000000 0.500000 -0.000000 Rb\n0.000000 -0.000000 0.500000 Au\n0.546732 0.123843 0.263779 S\n0.453268 0.876156 0.736220 S\n0.539291 0.630756 0.765399 O\n0.317183 0.040739 0.862748 O\n0.682818 0.959260 0.137251 O\n0.217777 0.754522 0.591657 O\n0.782224 0.245477 0.408342 O\n0.247746 0.901765 0.308658 O\n0.752255 0.098234 0.691341 O\n0.460710 0.369243 0.234600 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"S",
"O"
],
"chemical_system": "Au-O-Rb-S",
"density": 4.491330678406799,
"density_atomic": 0.06839375451578526,
"volume": 175.45461694503703,
"volume_molar": 8.805103335290786,
"formula_full": "Rb1 Au1 S2 O8",
"formula_reduced": "RbAu(SO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.1878137975,
"spacegroup": 2
},
{
"id": "jvasp-4714",
"created_at": "2022-09-04T14:37:55.297458Z",
"updated_at": "2022-09-04T14:37:55.297485Z",
"structure_string": "Na2 Yb2 P4 S12\n1.0\n7.185695 -0.050108 -0.089868\n0.204145 7.222423 -0.036813\n2.343764 0.312327 9.139042\nYb Na P S\n2 2 4 12\ndirect\n0.956200 0.118553 0.725824 Yb\n0.043801 0.881447 0.274175 Yb\n0.517013 0.382111 0.313468 Na\n0.482988 0.617889 0.686532 Na\n0.719908 0.021371 0.072139 P\n0.280093 0.978629 0.927861 P\n0.055742 0.608079 0.562350 P\n0.944259 0.391921 0.437650 P\n0.697622 0.297266 0.574775 S\n0.302378 0.702733 0.425225 S\n0.856490 0.817285 0.957271 S\n0.153366 0.189648 0.420838 S\n0.092438 0.486199 0.750471 S\n0.656021 0.248150 0.971938 S\n0.344305 0.995702 0.713495 S\n0.907563 0.513800 0.249529 S\n0.143511 0.182715 0.042729 S\n0.655696 0.004298 0.286505 S\n0.846635 0.810352 0.579162 S\n0.343980 0.751850 0.028062 S\n",
"nsites": 20,
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"elements": [
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"Na",
"P",
"S"
],
"chemical_system": "Na-P-S-Yb",
"density": 3.1422694669891045,
"density_atomic": 0.0420172364311393,
"volume": 475.9951319686948,
"volume_molar": 14.33254842895128,
"formula_full": "Na2 Yb2 P4 S12",
"formula_reduced": "NaYb(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.80921907,
"spacegroup": 2
},
{
"id": "jvasp-42166",
"created_at": "2022-09-04T14:37:55.321995Z",
"updated_at": "2022-09-04T14:37:55.322025Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.149024 -0.112854 -0.054432\n0.126917 5.969120 0.050397\n0.083040 1.602439 7.912070\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.915907 0.537662 0.147619 Li\n0.427133 0.032160 0.648048 Li\n0.572867 0.967840 0.351952 Li\n0.084092 0.462338 0.852382 Li\n0.906876 0.257814 0.502579 Mn\n0.093124 0.742187 0.497422 Mn\n0.423231 0.793312 0.014756 Fe\n0.576768 0.206689 0.985245 Fe\n0.590277 0.571159 0.670161 B\n0.928524 0.904432 0.827839 B\n0.071475 0.095569 0.172161 B\n0.409722 0.428842 0.329840 B\n0.060865 0.002920 0.682925 O\n0.950390 0.248669 0.044218 O\n0.939135 0.997081 0.317076 O\n0.336167 0.045176 0.160196 O\n0.554410 0.549316 0.196235 O\n0.518568 0.253052 0.448212 O\n0.146455 0.482541 0.342395 O\n0.853544 0.517459 0.657606 O\n0.481431 0.746949 0.551789 O\n0.445590 0.450685 0.803765 O\n0.663833 0.954825 0.839805 O\n0.049609 0.751332 0.955783 O\n",
"nsites": 24,
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"elements": [
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"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.3127636767443334,
"density_atomic": 0.09880953693487618,
"volume": 242.89153400058967,
"volume_molar": 6.094695863182821,
"formula_full": "Li4 Mn2 Fe2 B4 O12",
"formula_reduced": "Li2MnFe(BO3)2",
"formula_anonymous": "ABC2D2E6",
"energy_above_hull": 3.127294909003832,
"spacegroup": 2
},
{
"id": "jvasp-32899",
"created_at": "2022-09-04T14:37:55.873545Z",
"updated_at": "2022-09-04T14:37:55.873571Z",
"structure_string": "Co1 Sn2 H12 O6 F6\n1.0\n6.146463 -0.023640 2.214333\n0.790788 6.910172 1.626801\n0.174235 0.113491 6.909515\nCo Sn H O F\n1 2 12 6 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.351229 0.371657 0.323850 Sn\n0.648770 0.628342 0.676150 Sn\n0.886227 0.262882 0.253347 H\n0.274412 0.271003 0.899324 H\n0.345516 0.818171 0.092342 H\n0.725587 0.728996 0.100676 H\n0.758116 0.032489 0.745742 H\n0.754829 0.075794 0.370844 H\n0.083335 0.363981 0.800989 H\n0.654483 0.181829 0.907658 H\n0.916664 0.636018 0.199011 H\n0.245170 0.924205 0.629157 H\n0.241883 0.967511 0.254259 H\n0.113772 0.737117 0.746654 H\n0.821586 0.758214 0.171041 O\n0.178413 0.241785 0.828960 O\n0.207569 0.892951 0.166999 O\n0.204279 0.826113 0.764910 O\n0.795720 0.173887 0.235090 O\n0.792430 0.107049 0.833002 O\n0.700393 0.926515 0.595961 F\n0.030047 0.421247 0.287182 F\n0.969952 0.578752 0.712819 F\n0.440894 0.321841 0.006411 F\n0.559105 0.678159 0.993589 F\n0.299606 0.073485 0.404040 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
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],
"chemical_system": "Co-F-H-O-Sn",
"density": 2.9686715780260955,
"density_atomic": 0.09310698453988309,
"volume": 289.98898561078784,
"volume_molar": 6.467979593325106,
"formula_full": "Co1 Sn2 H12 O6 F6",
"formula_reduced": "CoSn2H12(OF)6",
"formula_anonymous": "AB2C6D6E12",
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"spacegroup": 2
},
{
"id": "jvasp-25859",
"created_at": "2022-09-04T14:37:55.866269Z",
"updated_at": "2022-09-04T14:37:55.866292Z",
"structure_string": "Cd2 Hg4 Se2 O12\n1.0\n6.994555 0.010564 0.054941\n3.187031 6.551788 -0.019383\n2.858649 0.883143 6.969537\nCd Hg Se O\n2 4 2 12\ndirect\n0.332567 0.135549 0.212915 Cd\n0.667434 0.864450 0.787086 Cd\n0.841591 0.642138 0.209869 Hg\n0.158410 0.357861 0.790132 Hg\n0.660938 0.360623 0.791027 Hg\n0.339063 0.639376 0.208973 Hg\n0.796835 0.132142 0.311243 Se\n0.203165 0.867857 0.688757 Se\n0.853573 0.524668 0.748835 O\n0.365091 0.791619 0.831119 O\n0.549342 0.800618 0.136938 O\n0.223634 0.083650 0.546666 O\n0.146428 0.475332 0.251166 O\n0.450658 0.199381 0.863062 O\n0.776367 0.916349 0.453334 O\n0.938379 0.924024 0.836353 O\n0.720208 0.323251 0.434520 O\n0.634910 0.208380 0.168882 O\n0.279793 0.676748 0.565480 O\n0.061621 0.075975 0.163647 O\n",
"nsites": 20,
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"elements": [
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"Hg",
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"O"
],
"chemical_system": "Cd-Hg-O-Se",
"density": 7.181863569947531,
"density_atomic": 0.06281367608429932,
"volume": 318.40199852590905,
"volume_molar": 9.587308266941685,
"formula_full": "Cd2 Hg4 Se2 O12",
"formula_reduced": "CdHg2SeO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 2
},
{
"id": "jvasp-42258",
"created_at": "2022-09-04T14:37:55.980945Z",
"updated_at": "2022-09-04T14:37:55.980975Z",
"structure_string": "Li2 Fe4 O3 F8\n1.0\n4.977268 -0.003372 -0.013007\n-0.764735 6.390240 -0.104134\n-1.835603 -2.433246 6.001510\nLi Fe O F\n2 4 3 8\ndirect\n0.669928 0.195521 0.400586 Li\n0.330072 0.804478 0.599414 Li\n0.908267 0.248514 0.969670 Fe\n0.345489 0.374857 0.780071 Fe\n0.654511 0.625143 0.219929 Fe\n0.091734 0.751485 0.030330 Fe\n0.728997 0.530327 0.943602 O\n0.271003 0.469673 0.056398 O\n0.000000 0.000000 0.000000 O\n0.050459 0.796701 0.344116 F\n0.473961 0.113800 0.809014 F\n0.949541 0.203299 0.655884 F\n0.379277 0.285961 0.500509 F\n0.789833 0.368382 0.250616 F\n0.210167 0.631617 0.749384 F\n0.620723 0.714038 0.499492 F\n0.526039 0.886200 0.190986 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.8329091539382976,
"density_atomic": 0.08974310441448527,
"volume": 189.4295958548996,
"volume_molar": 6.710421707930106,
"formula_full": "Li2 Fe4 O3 F8",
"formula_reduced": "Li2Fe4O3F8",
"formula_anonymous": "A2B3C4D8",
"energy_above_hull": 1.4372091035294114,
"spacegroup": 2
}
]
}