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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=307",
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{
"id": "jvasp-113726",
"created_at": "2022-09-04T14:38:45.848918Z",
"updated_at": "2022-09-04T14:38:45.848957Z",
"structure_string": "Ta1 Sb1 O4\n1.0\n5.868223 -1.949313 0.184508\n5.868223 1.949313 0.184508\n-0.385685 0.000000 3.994372\nTa Sb O\n1 1 4\ndirect\n0.002371 0.002371 0.053243 Ta\n0.290781 0.290781 0.721079 Sb\n0.003603 0.003603 0.514978 O\n0.825781 0.825781 0.930062 O\n0.164764 0.164764 0.036677 O\n0.462178 0.462178 0.993958 O\n",
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"elements": [
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{
"id": "jvasp-117552",
"created_at": "2022-09-04T14:38:46.032385Z",
"updated_at": "2022-09-04T14:38:46.032407Z",
"structure_string": "Ba1 C3\n1.0\n4.186457 -0.105652 0.373247\n-0.119437 -2.783974 0.546230\n-0.616807 0.477687 -5.047158\nBa C\n1 3\ndirect\n0.709483 -0.009459 0.018256 Ba\n0.332557 0.656889 0.350454 C\n0.149688 0.755316 0.547410 C\n0.075745 0.314870 0.667403 C\n",
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{
"id": "jvasp-120262",
"created_at": "2022-09-04T14:38:46.555691Z",
"updated_at": "2022-09-04T14:38:46.555733Z",
"structure_string": "Ge1 I3\n1.0\n7.062760 0.675178 0.351602\n-3.186152 -6.563449 -1.349973\n0.951785 2.379778 -2.927313\nGe I\n1 3\ndirect\n0.336307 0.242336 0.581535 Ge\n-0.007766 -0.002922 0.012616 I\n0.335635 0.661189 0.958417 I\n0.680448 0.341330 0.014722 I\n",
"nsites": 4,
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"elements": [
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"density": 4.993623681993673,
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"formula_full": "Ge1 I3",
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{
"id": "jvasp-108785",
"created_at": "2022-09-04T14:38:46.194351Z",
"updated_at": "2022-09-04T14:38:46.194366Z",
"structure_string": "Dy2 Ga1 Cu3\n1.0\n4.259424 0.011873 3.273129\n2.093970 3.709194 3.273129\n-0.026876 -0.015741 6.868674\nDy Ga Cu\n2 1 3\ndirect\n0.457480 0.457480 0.795325 Dy\n0.543163 0.543162 0.205991 Dy\n0.831760 0.831759 0.612350 Ga\n0.164544 0.164544 0.384629 Cu\n0.164715 0.164716 0.790004 Cu\n0.838338 0.838337 0.211703 Cu\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Cu-Dy-Ga",
"density": 8.935237780568551,
"density_atomic": 0.055154948475128134,
"volume": 108.78443668034015,
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"formula_full": "Dy2 Ga1 Cu3",
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"formula_anonymous": "AB2C3",
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{
"id": "jvasp-113632",
"created_at": "2022-09-04T14:38:46.254317Z",
"updated_at": "2022-09-04T14:38:46.254333Z",
"structure_string": "Ge1 H2\n1.0\n2.554716 0.057196 -0.544242\n0.094625 -3.487931 0.077999\n0.158080 -1.830615 -3.973005\nGe H\n1 2\ndirect\n0.102806 0.895660 0.049420 Ge\n0.950555 0.694624 0.451534 H\n0.139230 0.436727 -0.032733 H\n",
"nsites": 3,
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"elements": [
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"density": 3.483906842783858,
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"spacegroup": 8
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{
"id": "jvasp-115459",
"created_at": "2022-09-04T14:38:46.372073Z",
"updated_at": "2022-09-04T14:38:46.372093Z",
"structure_string": "Au1 S3\n1.0\n5.259554 -0.069888 0.039107\n-3.888808 -3.224101 -0.077212\n0.988536 -1.863921 -4.888692\nAu S\n1 3\ndirect\n0.061002 0.487454 0.022600 Au\n0.034115 -0.020748 0.968934 S\n0.283086 0.186960 0.545149 S\n0.508627 -0.014642 0.505924 S\n",
"nsites": 4,
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"elements": [
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"density": 5.803303509885898,
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"volume": 83.88433197074382,
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{
"id": "jvasp-109910",
"created_at": "2022-09-04T14:38:46.357661Z",
"updated_at": "2022-09-04T14:38:46.357672Z",
"structure_string": "Fe3 O3 F3\n1.0\n7.498012 0.129708 0.340213\n6.906530 2.921791 0.340213\n0.184979 0.039187 4.672142\nFe O F\n3 3 3\ndirect\n0.005669 0.005669 0.004558 Fe\n0.660553 0.660555 0.540454 Fe\n0.342271 0.342272 0.477912 Fe\n0.559802 0.559805 0.787883 O\n0.216927 0.216929 0.692184 O\n0.444824 0.444826 0.209788 O\n0.890439 0.890442 0.727864 F\n0.109250 0.109251 0.304390 F\n0.770253 0.770254 0.254960 F\n",
"nsites": 9,
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"elements": [
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"density_atomic": 0.09184940877795984,
"volume": 97.98647721028813,
"volume_molar": 6.556537314854302,
"formula_full": "Fe3 O3 F3",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
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"spacegroup": 8
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{
"id": "jvasp-113060",
"created_at": "2022-09-04T14:38:46.403517Z",
"updated_at": "2022-09-04T14:38:46.403541Z",
"structure_string": "Sn3 Sb1 Se2 I5\n1.0\n7.333296 0.007292 1.124252\n6.070802 4.113715 1.124252\n0.111523 0.034287 12.812195\nSn Sb Se I\n3 1 2 5\ndirect\n0.624431 0.624429 0.477093 Sn\n0.369694 0.369693 0.532041 Sn\n0.639597 0.639596 0.829573 Sn\n0.361574 0.361573 0.186507 Sb\n0.752871 0.752869 0.615928 Se\n0.245955 0.245954 0.381224 Se\n0.720156 0.720154 0.138917 I\n0.289042 0.289043 0.858403 I\n0.972780 0.972777 0.309479 I\n0.025637 0.025638 0.667520 I\n0.998269 0.998266 0.003312 I\n",
"nsites": 11,
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"elements": [
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"Sb",
"Se",
"I"
],
"chemical_system": "I-Sb-Se-Sn",
"density": 5.4737110175567745,
"density_atomic": 0.028543557174269645,
"volume": 385.37593379972486,
"volume_molar": 21.098073807803498,
"formula_full": "Sn3 Sb1 Se2 I5",
"formula_reduced": "Sn3SbSe2I5",
"formula_anonymous": "AB2C3D5",
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"spacegroup": 8
},
{
"id": "jvasp-117092",
"created_at": "2022-09-04T14:38:46.551828Z",
"updated_at": "2022-09-04T14:38:46.551857Z",
"structure_string": "Li4 Nb2 Fe3 Co3 O16\n1.0\n5.764494 0.026191 0.064086\n2.892945 4.986076 0.064086\n-0.076987 -0.044572 9.396277\nLi Nb Fe Co O\n4 2 3 3 16\ndirect\n0.668388 0.668389 0.101192 Li\n0.000298 0.000298 0.004780 Li\n-0.000023 -0.000023 0.503669 Li\n0.334450 0.334451 0.604737 Li\n0.667179 0.667181 0.505935 Nb\n0.331443 0.331444 0.004260 Nb\n0.830514 0.830517 0.783154 Fe\n0.175512 0.655757 0.283302 Fe\n0.655755 0.175513 0.283302 Fe\n0.167848 0.167849 0.285561 Co\n0.337484 0.831134 0.784729 Co\n0.831131 0.337487 0.784729 Co\n0.163103 0.163104 0.901478 O\n0.161862 0.673866 0.900057 O\n0.331703 0.331704 0.390971 O\n0.482901 0.036223 0.166482 O\n0.036222 0.482902 0.166482 O\n0.837267 0.837269 0.399887 O\n0.966297 0.516543 0.666371 O\n0.518159 0.518161 0.666112 O\n0.833338 0.327887 0.401179 O\n-0.001572 -0.001572 0.194073 O\n-0.001431 -0.001431 0.692157 O\n0.668279 0.668282 0.887799 O\n0.485420 0.485422 0.162088 O\n0.327886 0.833340 0.401179 O\n0.516541 0.966300 0.666371 O\n0.673864 0.161864 0.900057 O\n",
"nsites": 28,
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"elements": [
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"Nb",
"Fe",
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"O"
],
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"density": 5.016939752521974,
"density_atomic": 0.10393835520869874,
"volume": 269.3904472875153,
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"formula_full": "Li4 Nb2 Fe3 Co3 O16",
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{
"id": "jvasp-115455",
"created_at": "2022-09-04T14:38:46.679767Z",
"updated_at": "2022-09-04T14:38:46.679791Z",
"structure_string": "Mg1 Au1 O3\n1.0\n2.766729 -2.961955 0.030223\n2.766729 2.961955 0.030223\n-0.713423 0.000000 4.238967\nMg Au O\n1 1 3\ndirect\n0.463714 0.463714 0.701845 Mg\n0.031915 0.031915 0.972175 Au\n0.526254 -0.008536 0.877397 O\n-0.008536 0.526254 0.877397 O\n0.100016 0.100016 0.457837 O\n",
"nsites": 5,
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],
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"volume": 69.60377856837522,
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"formula_full": "Mg1 Au1 O3",
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},
{
"id": "jvasp-114011",
"created_at": "2022-09-04T14:38:46.907290Z",
"updated_at": "2022-09-04T14:38:46.907313Z",
"structure_string": "B2 O1\n1.0\n4.501941 0.596131 0.367119\n0.954510 -2.151318 -0.133329\n-1.711508 -3.059223 -3.178257\nB O\n2 1\ndirect\n0.489521 0.645874 0.065685 B\n-0.008920 0.801096 0.662926 B\n0.067359 -0.009167 0.941770 O\n",
"nsites": 3,
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"volume": 28.466254674689594,
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},
{
"id": "jvasp-120283",
"created_at": "2022-09-04T14:38:46.914558Z",
"updated_at": "2022-09-04T14:38:46.914579Z",
"structure_string": "Li3 F1\n1.0\n5.773581 -0.071723 -0.804196\n-2.372458 -4.080426 0.376523\n-1.593067 -1.393813 -2.157738\nLi F\n3 1\ndirect\n-0.030298 0.074994 0.709992 Li\n0.266765 0.721487 0.762143 Li\n0.624124 0.400182 0.854040 Li\n-0.003362 0.585285 0.149326 F\n",
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"volume": 56.84191362053398,
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}
]
}