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"results": [
{
"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",
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"formula_full": "Li6 Mn5 Co1 O12",
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{
"id": "jvasp-23527",
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"updated_at": "2022-09-04T14:37:37.369945Z",
"structure_string": "Ho4 Ge4 Ir4\n1.0\n4.304401 0.000000 0.000000\n0.000000 6.835414 0.000000\n0.000000 0.000000 7.613265\nHo Ge Ir\n4 4 4\ndirect\n0.750000 0.495206 0.807015 Ho\n0.250000 0.004794 0.307014 Ho\n0.750000 0.995205 0.692986 Ho\n0.250000 0.504794 0.192986 Ho\n0.250000 0.791251 0.891655 Ge\n0.250000 0.291251 0.608346 Ge\n0.750000 0.208749 0.108346 Ge\n0.750000 0.708749 0.391654 Ge\n0.250000 0.665599 0.568077 Ir\n0.250000 0.165599 0.931924 Ir\n0.750000 0.834401 0.068076 Ir\n0.750000 0.334401 0.431924 Ir\n",
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],
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"density_atomic": 0.053571369892457914,
"volume": 224.00024535660472,
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"formula_full": "Ho4 Ge4 Ir4",
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"spacegroup": 62
},
{
"id": "jvasp-42919",
"created_at": "2022-09-04T14:38:10.067613Z",
"updated_at": "2022-09-04T14:38:10.067653Z",
"structure_string": "Mn8 O14 F2\n1.0\n6.461603 -0.008027 -0.018503\n-0.717380 6.421663 -0.018609\n-2.808420 -3.135981 5.417003\nMn O F\n8 14 2\ndirect\n0.695320 0.446077 0.139345 Mn\n0.803773 0.049495 0.856058 Mn\n0.323590 0.547749 0.354134 Mn\n0.196077 0.945322 0.639347 Mn\n0.799496 0.053771 0.356058 Mn\n0.697601 0.448108 0.648480 Mn\n0.198109 0.947601 0.148479 Mn\n0.297752 0.573589 0.854138 Mn\n0.902848 0.981018 0.617326 O\n0.400372 0.479046 0.619243 O\n0.268895 0.856378 0.883708 O\n0.631498 0.718344 0.115906 O\n0.229046 0.650374 0.119248 O\n0.867701 0.778221 0.882756 O\n0.964636 0.388897 0.618436 O\n0.138899 0.214634 0.118437 O\n0.528217 0.117701 0.382753 O\n0.764164 0.347777 0.881302 O\n0.731018 0.152851 0.117330 O\n0.606380 0.518894 0.383713 O\n0.097779 0.014163 0.381306 O\n0.468346 0.881497 0.615905 O\n0.351725 0.286764 0.883298 F\n0.036757 0.601722 0.383295 F\n",
"nsites": 24,
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],
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"volume": 223.9903876039465,
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"formula_full": "Mn8 O14 F2",
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{
"id": "jvasp-10816",
"created_at": "2022-09-04T14:37:17.698746Z",
"updated_at": "2022-09-04T14:37:17.698770Z",
"structure_string": "Mg1 Ni4 S8\n1.0\n6.803075 0.015820 0.011186\n3.415238 5.915366 -0.000000\n3.415238 1.971789 5.577061\nMg Ni S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.265824 0.259978 0.259978 S\n0.265824 0.259978 0.714221 S\n0.265824 0.714221 0.259978 S\n0.716649 0.261117 0.261118 S\n0.283352 0.738883 0.738883 S\n0.734177 0.740022 0.285780 S\n0.734177 0.285780 0.740022 S\n0.734177 0.740023 0.740022 S\n",
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"formula_full": "Mg1 Ni4 S8",
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"formula_anonymous": "AB4C8",
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{
"id": "jvasp-91614",
"created_at": "2022-09-04T14:36:01.553411Z",
"updated_at": "2022-09-04T14:36:01.553440Z",
"structure_string": "Zn1 Cu2 Ge1 Te4\n1.0\n6.081278 0.000000 0.000000\n-0.000000 6.081278 0.000000\n-3.040640 -3.040640 6.055871\nZn Cu Ge Te\n1 2 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 -0.000000 Ge\n0.623775 0.110861 0.746537 Te\n0.122763 0.635677 0.746537 Te\n0.889139 0.877237 0.253462 Te\n0.364323 0.376225 0.253462 Te\n",
"nsites": 8,
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],
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"density_atomic": 0.035721004011082906,
"volume": 223.9578707675153,
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"formula_full": "Zn1 Cu2 Ge1 Te4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 82
},
{
"id": "jvasp-68933",
"created_at": "2022-09-04T14:35:48.089696Z",
"updated_at": "2022-09-04T14:35:48.089719Z",
"structure_string": "W4 S8\n1.0\n6.643540 -0.527493 0.343666\n-2.432417 6.139076 -0.069951\n0.773352 -3.281032 5.679193\nW S\n4 8\ndirect\n0.488193 0.020950 0.223178 W\n0.511807 0.979052 0.776822 W\n0.511807 0.479047 0.276822 W\n0.488193 0.520955 0.723179 W\n0.211182 0.197072 0.408517 S\n0.788818 0.802929 0.591484 S\n0.282936 0.732389 0.408979 S\n0.717064 0.267613 0.591022 S\n0.788815 0.302910 0.091485 S\n0.211185 0.697092 0.908515 S\n0.717059 0.767614 0.091036 S\n0.282941 0.232388 0.908965 S\n",
"nsites": 12,
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"elements": [
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],
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"density": 7.354402834190114,
"density_atomic": 0.05358218625866987,
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"formula_full": "W4 S8",
"formula_reduced": "WS2",
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},
{
"id": "jvasp-9611",
"created_at": "2022-09-04T14:38:14.775902Z",
"updated_at": "2022-09-04T14:38:14.775925Z",
"structure_string": "Sr4 Si4 N8\n1.0\n0.000000 5.539043 0.010519\n7.344466 0.000000 0.000000\n0.000000 -2.317197 -5.509421\nSr Si N\n4 4 8\ndirect\n0.323525 0.074274 0.660227 Sr\n0.176474 0.574275 0.339773 Sr\n0.676474 0.925726 0.339773 Sr\n0.823525 0.425726 0.660227 Sr\n0.930345 0.858121 0.892993 Si\n0.069653 0.141879 0.107007 Si\n0.569653 0.358121 0.107007 Si\n0.430346 0.641880 0.892993 Si\n0.111062 0.720308 0.783284 N\n0.388937 0.220308 0.216715 N\n0.888937 0.279693 0.216715 N\n0.611062 0.779693 0.783284 N\n0.919332 0.088463 0.791311 N\n0.419332 0.411537 0.791311 N\n0.080667 0.911538 0.208689 N\n0.580666 0.588463 0.208689 N\n",
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],
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"formula_full": "Sr4 Si4 N8",
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"spacegroup": 14
},
{
"id": "jvasp-55712",
"created_at": "2022-09-04T14:38:03.428647Z",
"updated_at": "2022-09-04T14:38:03.428665Z",
"structure_string": "Ca1 H12 Br2 O6\n1.0\n4.049593 -7.014101 0.000000\n4.049593 7.014101 -0.000000\n-0.000000 0.000000 3.942197\nCa H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.111000 0.774930 0.528899 H\n0.225069 0.336071 0.528899 H\n0.774930 0.111000 0.471102 H\n0.888999 0.663928 0.471102 H\n0.336071 0.225069 0.471102 H\n0.663928 0.888999 0.528899 H\n0.575254 0.672868 0.101131 H\n0.097613 0.424745 0.101131 H\n0.424745 0.097613 0.898870 H\n0.902386 0.327131 0.898870 H\n0.672868 0.575254 0.898870 H\n0.327131 0.902386 0.101131 H\n0.666667 0.333333 0.562871 Br\n0.333333 0.666667 0.437130 Br\n0.206456 0.206456 0.500000 O\n-0.000000 0.302999 0.000000 O\n0.697000 0.697000 0.000000 O\n0.302999 -0.000000 0.000000 O\n-0.000000 0.793543 0.500000 O\n0.793543 -0.000000 0.500000 O\n",
"nsites": 21,
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"elements": [
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],
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"density_atomic": 0.09377079188840912,
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"formula_full": "Ca1 H12 Br2 O6",
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{
"id": "jvasp-46790",
"created_at": "2022-09-04T14:38:07.149167Z",
"updated_at": "2022-09-04T14:38:07.149195Z",
"structure_string": "Li4 Ti2 Cr4 O12\n1.0\n5.090984 0.003029 0.000000\n-2.555784 4.402964 -0.000000\n0.000000 0.000000 9.987324\nLi Ti Cr O\n4 2 4 12\ndirect\n0.147994 0.647993 0.750000 Li\n0.352006 0.852005 0.250000 Li\n0.647994 0.147994 0.750000 Li\n0.852005 0.352006 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.163623 0.836376 0.500000 Cr\n0.336377 0.663622 0.000000 Cr\n0.663622 0.336377 0.000000 Cr\n0.836377 0.163623 0.500000 Cr\n0.505946 0.165724 0.392588 O\n0.828949 0.828949 0.398959 O\n0.334276 0.994053 0.892588 O\n0.671051 0.671050 0.898959 O\n0.328949 0.328949 0.101041 O\n0.005946 0.665724 0.107412 O\n0.494054 0.834275 0.607412 O\n0.165724 0.505946 0.392588 O\n0.994053 0.334276 0.892588 O\n0.834275 0.494054 0.607412 O\n0.171051 0.171051 0.601041 O\n0.665724 0.005946 0.107412 O\n",
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{
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"created_at": "2022-09-04T14:37:53.569505Z",
"updated_at": "2022-09-04T14:37:53.569539Z",
"structure_string": "Ce1 Sc3 B4 O12\n1.0\n6.117905 -0.018740 -1.456156\n-1.839273 5.834911 -1.456156\n-0.013786 -0.018740 6.288797\nCe Sc B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.451758 0.548242 Sc\n0.548242 -0.000000 0.451758 Sc\n0.451759 0.548241 -0.000001 Sc\n0.500000 0.500000 0.500000 B\n0.500000 0.049816 0.950184 B\n0.950184 0.500000 0.049816 B\n0.049817 0.950183 0.500000 B\n0.500000 0.640249 0.359750 O\n0.359750 0.500000 0.640249 O\n0.640250 0.359750 0.500000 O\n0.627373 0.030729 0.799170 O\n0.030729 0.799170 0.627373 O\n0.969272 0.372627 0.200829 O\n0.200830 0.969271 0.372626 O\n0.372627 0.200830 0.969271 O\n0.500001 0.909741 0.090258 O\n0.090258 0.500000 0.909742 O\n0.909742 0.090258 0.500000 O\n0.799171 0.627373 0.030728 O\n",
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{
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"created_at": "2022-09-04T14:35:47.323961Z",
"updated_at": "2022-09-04T14:35:47.323993Z",
"structure_string": "Ba4 Ga1 Mo1\n1.0\n-0.000000 4.819653 4.819653\n4.819653 -0.000000 4.819653\n4.819653 4.819653 0.000000\nBa Ga Mo\n4 1 1\ndirect\n0.124155 0.625282 0.625282 Ba\n0.625282 0.625282 0.625282 Ba\n0.625282 0.124155 0.625282 Ba\n0.625282 0.625282 0.124155 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Mo\n",
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{
"id": "jvasp-23852",
"created_at": "2022-09-04T14:37:42.675458Z",
"updated_at": "2022-09-04T14:37:42.675477Z",
"structure_string": "Cr4 Cu2 S8\n1.0\n5.902734 0.000000 3.407945\n1.967578 5.565151 3.407945\n0.000000 0.000000 6.815890\nCr Cu S\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Cr\n0.500000 0.500000 -0.000001 Cr\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.875000 0.875000 0.874999 Cu\n0.125000 0.125000 0.125000 Cu\n0.742774 0.742774 0.742774 S\n0.257225 0.257225 0.728325 S\n0.257226 0.728325 0.257225 S\n0.728324 0.257225 0.257225 S\n0.742774 0.271675 0.742774 S\n0.271675 0.742774 0.742774 S\n0.257225 0.257225 0.257225 S\n0.742774 0.742774 0.271674 S\n",
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}
]
}