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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4366",
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"results": [
{
"id": "jvasp-107577",
"created_at": "2022-09-04T14:36:57.439936Z",
"updated_at": "2022-09-04T14:36:57.439956Z",
"structure_string": "Ca2 Zn3 Ga1\n1.0\n4.470345 0.029494 3.608858\n2.197837 3.892862 3.608858\n0.011373 0.006690 7.277022\nCa Zn Ga\n2 3 1\ndirect\n0.458469 0.458468 0.792300 Ca\n0.542266 0.542264 0.205910 Ca\n0.163466 0.163465 0.383867 Zn\n0.164853 0.164853 0.786714 Zn\n0.835194 0.835191 0.220883 Zn\n0.835756 0.835754 0.610326 Ga\n",
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{
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"structure_string": "V1 O2 F1\n1.0\n4.701382 -0.160645 2.045812\n3.755891 2.832328 2.045812\n0.122661 0.038749 4.287245\nV O F\n1 2 1\ndirect\n0.017357 0.017358 0.957119 V\n0.010667 0.010668 0.588566 O\n0.601815 0.601818 -0.023164 O\n0.823420 0.823424 0.259668 F\n",
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{
"id": "jvasp-107542",
"created_at": "2022-09-04T14:36:58.314311Z",
"updated_at": "2022-09-04T14:36:58.314326Z",
"structure_string": "Na1 La1 Mg1 Te1 O6\n1.0\n4.813287 -0.006006 2.806793\n1.593562 4.541842 2.806793\n0.002347 0.001661 5.596367\nNa La Mg Te O\n1 1 1 1 6\ndirect\n0.751422 0.751420 0.758790 Na\n0.250651 0.250650 0.239866 La\n0.999572 0.999569 0.999064 Mg\n0.501033 0.501032 0.498601 Te\n0.211803 0.698025 0.785895 O\n0.298498 0.788768 0.216299 O\n0.788770 0.298497 0.216298 O\n0.698027 0.211802 0.785895 O\n0.741007 0.741005 0.340957 O\n0.259226 0.259224 0.658331 O\n",
"nsites": 10,
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"elements": [
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"volume": 122.35182969112975,
"volume_molar": 7.3681994064353065,
"formula_full": "Na1 La1 Mg1 Te1 O6",
"formula_reduced": "NaLaMgTeO6",
"formula_anonymous": "ABCDE6",
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"spacegroup": 8
},
{
"id": "jvasp-43661",
"created_at": "2022-09-04T14:36:58.357681Z",
"updated_at": "2022-09-04T14:36:58.357700Z",
"structure_string": "Li4 Mn3 Co3 Sn2 O16\n1.0\n5.764210 -0.025613 0.025828\n-2.849158 5.010921 0.020642\n-0.041841 -0.065057 9.572744\nLi Mn Co Sn O\n4 3 3 2 16\ndirect\n0.332942 0.667036 0.101723 Li\n0.998224 0.001831 0.003954 Li\n0.998403 0.001623 0.506023 Li\n0.666409 0.333621 0.607494 Li\n0.169438 0.830616 0.784886 Mn\n0.830956 0.661449 0.284559 Mn\n0.338525 0.169013 0.284549 Mn\n0.168577 0.338957 0.785041 Co\n0.829962 0.170023 0.284629 Co\n0.661108 0.831480 0.785043 Co\n0.336452 0.663569 0.509718 Sn\n0.668600 0.331438 0.004713 Sn\n0.844778 0.155288 0.897091 O\n0.845311 0.687110 0.896904 O\n0.665632 0.334351 0.390014 O\n0.513145 0.031506 0.167273 O\n0.968483 0.486840 0.167278 O\n0.158761 0.841226 0.397228 O\n0.029699 0.515922 0.667798 O\n0.484432 0.515629 0.670590 O\n0.159404 0.312234 0.396693 O\n-0.000969 0.000922 0.190232 O\n0.000068 0.000002 0.691483 O\n0.332466 0.667604 0.888864 O\n0.514640 0.485317 0.166978 O\n0.687775 0.840594 0.396698 O\n0.484138 0.970343 0.667802 O\n0.312935 0.154752 0.896900 O\n",
"nsites": 28,
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],
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"density_atomic": 0.10151601974416674,
"volume": 275.8185365281613,
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{
"id": "jvasp-107276",
"created_at": "2022-09-04T14:36:59.622019Z",
"updated_at": "2022-09-04T14:36:59.622047Z",
"structure_string": "V2 Cr1 Te4\n1.0\n6.433244 0.013594 3.348832\n5.179803 3.815292 3.348832\n0.004932 0.001626 6.968167\nV Cr Te\n2 1 4\ndirect\n0.743644 0.743643 0.276087 V\n0.998176 0.998174 0.000192 V\n0.258164 0.258165 0.721017 Cr\n0.118701 0.118702 0.548428 Te\n0.883016 0.883015 0.453675 Te\n0.367971 0.367973 0.968520 Te\n0.630326 0.630325 0.032082 Te\n",
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],
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"density": 6.470656553964932,
"density_atomic": 0.04106262445068905,
"volume": 170.471325046603,
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"formula_full": "V2 Cr1 Te4",
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"spacegroup": 8
},
{
"id": "jvasp-102910",
"created_at": "2022-09-04T14:36:58.972719Z",
"updated_at": "2022-09-04T14:36:58.972739Z",
"structure_string": "N1 Cl1 O3\n1.0\n4.972877 0.393154 1.026962\n-1.323166 4.809709 1.026962\n0.283447 0.404069 3.716661\nN Cl O\n1 1 3\ndirect\n0.546338 0.546337 0.456236 N\n0.103930 0.103929 0.874162 Cl\n0.348592 0.348592 0.901757 O\n0.461818 0.749325 0.331422 O\n0.749325 0.461818 0.331421 O\n",
"nsites": 5,
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"elements": [
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"O"
],
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"density_atomic": 0.05751712349081892,
"volume": 86.93063381026204,
"volume_molar": 10.470170263228262,
"formula_full": "N1 Cl1 O3",
"formula_reduced": "NClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.6634215635,
"spacegroup": 8
},
{
"id": "jvasp-104980",
"created_at": "2022-09-04T14:36:58.976934Z",
"updated_at": "2022-09-04T14:36:58.976946Z",
"structure_string": "Hf1 Cr1 Cu1 S4\n1.0\n6.106691 0.025076 2.876719\n5.083413 3.383965 2.876719\n-0.000762 -0.000232 5.926536\nHf Cr Cu S\n1 1 1 4\ndirect\n0.245570 0.245572 0.745369 Hf\n0.756453 0.756458 0.262227 Cr\n0.498422 0.498425 0.480596 Cu\n0.375569 0.375571 0.277831 S\n0.619612 0.619616 0.701714 S\n0.871380 0.871385 0.812987 S\n0.132983 0.132984 0.219279 S\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Cr-Cu-Hf-S",
"density": 5.760867264557247,
"density_atomic": 0.05750741608753819,
"volume": 121.72343110225212,
"volume_molar": 10.471937655541776,
"formula_full": "Hf1 Cr1 Cu1 S4",
"formula_reduced": "HfCrCuS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 8
},
{
"id": "jvasp-45176",
"created_at": "2022-09-04T14:36:59.910191Z",
"updated_at": "2022-09-04T14:36:59.910206Z",
"structure_string": "Cr5 Sb3 O16\n1.0\n6.032200 -0.001968 0.019941\n2.986043 5.241287 0.019730\n0.052356 0.030768 8.841545\nCr Sb O\n5 3 16\ndirect\n0.836094 0.335703 0.794411 Cr\n0.656843 0.656826 0.519558 Cr\n0.335721 0.836077 0.794411 Cr\n0.169202 0.169186 0.291124 Cr\n0.326184 0.326171 0.002190 Cr\n0.833826 0.833810 0.791151 Sb\n0.666433 0.169272 0.288371 Sb\n0.169289 0.666416 0.288373 Sb\n0.659464 0.174024 0.899896 O\n0.332215 0.332198 0.409623 O\n0.049893 0.470954 0.158979 O\n0.470971 0.049876 0.158978 O\n0.830632 0.830618 0.400637 O\n0.172206 0.172189 0.892171 O\n0.519635 0.948171 0.655756 O\n0.004839 0.004819 0.686374 O\n0.335150 0.831419 0.398213 O\n0.004328 0.004308 0.175625 O\n0.478269 0.478252 0.149406 O\n0.665674 0.665660 0.906021 O\n0.529673 0.529654 0.669144 O\n0.831434 0.335135 0.398212 O\n0.948187 0.519617 0.655755 O\n0.174039 0.659449 0.899895 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.2340451755081565,
"density_atomic": 0.08584204149443037,
"volume": 279.58328555777854,
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{
"id": "jvasp-104713",
"created_at": "2022-09-04T14:37:00.309279Z",
"updated_at": "2022-09-04T14:37:00.309305Z",
"structure_string": "Na1 Ti1 V1 S4\n1.0\n7.095234 -0.036991 0.969792\n6.279372 3.303513 0.969792\n-0.015496 -0.003785 5.898650\nNa Ti V S\n1 1 1 4\ndirect\n0.243908 0.243911 0.898631 Na\n0.493826 0.493827 0.492290 Ti\n0.991787 0.991787 0.016526 V\n0.892491 0.892493 0.704659 S\n0.387613 0.387614 0.205187 S\n0.592456 0.592458 0.810454 S\n0.098910 0.098911 0.305250 S\n",
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"density_atomic": 0.05011348583743305,
"volume": 139.6829592478925,
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{
"id": "jvasp-42681",
"created_at": "2022-09-04T14:37:00.473200Z",
"updated_at": "2022-09-04T14:37:00.473233Z",
"structure_string": "Ti2 Co3 Te3 O16\n1.0\n6.125802 0.003733 0.012116\n-3.059668 5.299539 -0.000005\n0.005402 0.003046 9.050168\nTi Co Te O\n2 3 3 16\ndirect\n0.365315 0.682664 0.509898 Ti\n0.710941 0.355481 0.971924 Ti\n0.653735 0.826876 0.204927 Co\n0.840462 0.667160 0.704021 Co\n0.840462 0.173320 0.704018 Co\n0.155967 0.826142 0.214784 Te\n0.155967 0.329843 0.214780 Te\n0.341519 0.170769 0.713369 Te\n0.832944 0.664661 0.103317 O\n0.654403 0.327209 0.597620 O\n0.518980 0.049790 0.846250 O\n0.518978 0.469206 0.846251 O\n0.663436 0.831723 0.598911 O\n0.320358 0.160189 0.102766 O\n0.458511 0.515136 0.335979 O\n-0.007534 -0.003753 0.325026 O\n0.189332 0.348092 0.598803 O\n0.014672 0.007348 0.809183 O\n0.961413 0.480717 0.840786 O\n0.306899 0.653456 0.091930 O\n0.022443 0.511228 0.343090 O\n0.189330 0.841256 0.598803 O\n0.458513 0.943390 0.335981 O\n0.832949 0.168301 0.103314 O\n",
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{
"id": "jvasp-103764",
"created_at": "2022-09-04T14:37:01.020292Z",
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"structure_string": "H6 C4 F2\n1.0\n5.094879 0.000000 -0.692515\n0.000000 2.558617 0.000000\n0.007085 0.000000 6.861460\nH C F\n6 4 2\ndirect\n0.152687 0.000000 0.487621 H\n0.448949 0.500001 0.288903 H\n0.198650 0.500001 0.085154 H\n0.652731 0.500001 -0.012444 H\n0.948717 0.000000 0.788635 H\n0.698224 0.000000 0.585011 H\n0.126159 0.000000 0.326246 C\n0.234498 0.500001 0.247089 C\n0.626017 0.500001 0.826178 C\n0.734247 0.000000 0.746942 C\n0.844202 0.000000 0.268695 F\n0.344024 0.500001 0.768807 F\n",
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{
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"created_at": "2022-09-04T14:37:02.153356Z",
"updated_at": "2022-09-04T14:37:02.153367Z",
"structure_string": "Ti6 H4 O14\n1.0\n7.930088 1.878857 -1.642714\n-7.930088 1.878857 1.642714\n-0.043171 0.000000 9.271685\nTi H O\n6 4 14\ndirect\n0.768831 0.231170 0.785133 Ti\n0.232464 0.767538 0.212404 Ti\n0.824183 0.175818 0.486635 Ti\n0.167426 0.832575 0.522295 Ti\n0.880953 0.119048 0.168319 Ti\n0.117018 0.882983 0.826571 Ti\n0.072332 0.927670 0.242424 H\n0.980838 0.019163 0.469668 H\n-0.000174 0.000174 0.035203 H\n0.954548 0.045454 0.792642 H\n0.291748 0.708254 0.454520 O\n0.703744 0.296257 0.541906 O\n0.352032 0.647969 0.181894 O\n0.649294 0.350707 0.817379 O\n0.010938 0.989063 0.863615 O\n0.990820 0.009182 0.140704 O\n0.173165 0.826836 0.030752 O\n0.923268 0.076733 0.403821 O\n0.132883 0.867119 0.310888 O\n0.862951 0.137050 0.683694 O\n0.763407 0.236594 0.253479 O\n0.829631 0.170371 0.968635 O\n0.076298 0.923704 0.599458 O\n0.237990 0.762012 0.742676 O\n",
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}
]
}