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{
"id": "jvasp-47594",
"created_at": "2022-09-04T14:38:11.603394Z",
"updated_at": "2022-09-04T14:38:11.603422Z",
"structure_string": "Li4 V3 Si1 O10\n1.0\n5.077964 0.018410 0.009669\n0.008896 6.014730 0.011295\n-2.518573 -0.059584 7.711640\nLi V Si O\n4 3 1 10\ndirect\n0.020759 0.345540 0.889209 Li\n0.628755 0.356391 0.125609 Li\n0.136546 0.659790 0.113270 Li\n0.523249 0.654031 0.899509 Li\n0.438247 0.158711 0.721714 V\n0.207257 0.158731 0.283818 V\n0.931039 0.834163 0.705736 V\n0.708867 0.845605 0.276542 Si\n0.767313 0.765846 0.479281 O\n0.887212 0.652563 0.858213 O\n0.528894 0.665446 0.140729 O\n0.025440 0.347845 0.133416 O\n0.806235 0.108635 0.749865 O\n0.256680 0.239996 0.502445 O\n0.549287 0.093781 0.252190 O\n0.298255 0.882012 0.749367 O\n0.397947 0.341486 0.876663 O\n0.012023 0.889434 0.242420 O\n",
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{
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"structure_string": "Sr2 Co1 Cl2 O2\n1.0\n3.783093 0.000000 -0.981297\n-0.254539 3.774519 -0.981297\n0.198036 0.211841 8.546393\nSr Co Cl O\n2 1 2 2\ndirect\n0.608693 0.608693 0.217385 Sr\n0.391308 0.391307 0.782614 Sr\n0.000000 0.000000 0.000000 Co\n0.186360 0.186362 0.372721 Cl\n0.813639 0.813638 0.627278 Cl\n0.500000 0.000000 -0.000000 O\n0.999998 0.500000 -0.000001 O\n",
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"formula_full": "Sr2 Co1 Cl2 O2",
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{
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"created_at": "2022-09-04T14:37:11.995578Z",
"updated_at": "2022-09-04T14:37:11.995612Z",
"structure_string": "Na4 Zn2 Si2 O8\n1.0\n0.000000 5.292087 0.001584\n5.503005 0.000000 0.000000\n0.000000 -5.262404 -7.025551\nNa Zn Si O\n4 2 2 8\ndirect\n0.734961 0.677022 0.747096 Na\n0.484291 0.817131 0.992086 Na\n0.734961 0.322979 0.247096 Na\n0.484291 0.182870 0.492086 Na\n0.998173 0.812818 0.497647 Zn\n0.998174 0.187183 0.997647 Zn\n0.249483 0.686564 0.245285 Si\n0.249483 0.313437 0.745285 Si\n0.308053 0.208086 0.940475 O\n0.308053 0.791915 0.440475 O\n0.973450 0.159693 0.551982 O\n0.973449 0.840307 0.051982 O\n0.584799 0.291474 0.770921 O\n0.142697 0.397188 0.219009 O\n0.142697 0.602813 0.719009 O\n0.584799 0.708527 0.270921 O\n",
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"formula_full": "Na4 Zn2 Si2 O8",
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{
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"created_at": "2022-09-04T14:37:19.372500Z",
"updated_at": "2022-09-04T14:37:19.372529Z",
"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n3.530215 -6.114511 0.000000\n3.530215 6.114511 0.000000\n0.000000 0.000000 3.965063\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.407905 0.407905 0.500000 Tb\n0.592094 -0.000000 0.500000 Tb\n-0.000000 0.592094 0.500000 Tb\n0.217554 -0.000000 0.000000 Mn\n-0.000000 0.217554 0.000000 Mn\n0.782445 0.782445 0.000000 Mn\n0.666666 0.333332 0.000000 Ga\n0.333332 0.666666 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n",
"nsites": 9,
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"formula_full": "Tb3 Mn3 Ga2 Si1",
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{
"id": "jvasp-50654",
"created_at": "2022-09-04T14:37:06.264856Z",
"updated_at": "2022-09-04T14:37:06.264871Z",
"structure_string": "Li2 Ti1 Cu1 O4\n1.0\n5.360750 0.031891 -0.000000\n2.374803 4.806139 -0.000000\n-3.867777 -2.419015 2.815552\nLi Ti Cu O\n2 1 1 4\ndirect\n0.249999 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.749999 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.530804 0.030805 0.500000 O\n0.256156 0.256156 0.000000 O\n0.969195 0.469196 0.500000 O\n0.743843 0.743844 0.000000 O\n",
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"formula_full": "Li2 Ti1 Cu1 O4",
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{
"id": "jvasp-12637",
"created_at": "2022-09-04T14:37:19.349333Z",
"updated_at": "2022-09-04T14:37:19.349360Z",
"structure_string": "Fe2 Mo2 Cl2 O8\n1.0\n6.579690 0.000000 -0.000000\n0.000000 6.579690 0.000000\n-0.000000 -0.000000 4.859335\nFe Mo Cl O\n2 2 2 8\ndirect\n0.500000 0.000000 0.234805 Fe\n0.000000 0.500000 0.765196 Fe\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.720835 Cl\n0.000000 0.500000 0.279166 Cl\n0.500000 0.717735 0.219006 O\n0.500000 0.282265 0.219006 O\n0.782265 0.000000 0.219006 O\n0.217735 0.000000 0.219006 O\n0.717735 0.500000 0.780995 O\n0.000000 0.782265 0.780995 O\n0.282265 0.500000 0.780995 O\n0.000000 0.217735 0.780995 O\n",
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"volume": 210.3718882179161,
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"formula_full": "Fe2 Mo2 Cl2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 129
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{
"id": "jvasp-10294",
"created_at": "2022-09-04T14:37:07.309968Z",
"updated_at": "2022-09-04T14:37:07.309990Z",
"structure_string": "Rb2 Na4 B2 O6\n1.0\n5.560749 0.000000 0.000000\n0.000000 5.695351 0.000000\n0.000000 0.000000 6.106151\nRb Na B O\n2 4 2 6\ndirect\n0.887037 0.500000 0.000000 Rb\n0.112963 0.000000 0.500000 Rb\n0.364635 0.500000 0.268408 Na\n0.364635 0.500000 0.731592 Na\n0.635365 0.000000 0.231592 Na\n0.635365 0.000000 0.768408 Na\n0.786829 0.500000 0.500000 B\n0.213172 0.000000 0.000000 B\n0.655087 0.289684 0.500000 O\n0.344913 0.210316 0.000000 O\n0.035987 0.500000 0.500000 O\n0.964013 0.000000 0.000000 O\n0.344913 0.789684 0.000000 O\n0.655087 0.710316 0.500000 O\n",
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"formula_full": "Rb2 Na4 B2 O6",
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"spacegroup": 59
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{
"id": "jvasp-103865",
"created_at": "2022-09-04T14:37:07.318831Z",
"updated_at": "2022-09-04T14:37:07.318858Z",
"structure_string": "Sn1 H8 C5 O4\n1.0\n4.855748 0.110145 -0.000227\n-0.939858 5.580504 -1.812035\n0.020906 -0.132954 6.576329\nSn H C O\n1 8 5 4\ndirect\n0.121733 0.124630 0.897549 Sn\n0.242285 0.048470 0.268170 H\n0.083525 0.773208 0.072166 H\n0.465431 0.500978 0.858581 H\n0.443624 0.885381 0.052623 H\n0.170718 0.425544 0.670419 H\n0.445905 0.571941 0.438649 H\n0.623952 0.725037 0.275602 H\n0.455997 0.249914 0.616730 H\n0.330347 0.355519 0.739948 C\n0.238314 0.933765 0.100588 C\n0.787337 0.398458 0.271282 C\n0.832035 0.789103 0.572047 C\n0.651312 0.621318 0.383642 C\n0.724044 0.942006 0.729036 O\n0.880258 0.391127 0.081091 O\n0.802951 0.243343 0.356963 O\n0.092782 0.790208 0.577524 O\n",
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"formula_full": "Sn1 H8 C5 O4",
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{
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"updated_at": "2022-09-04T14:37:06.582359Z",
"structure_string": "Li3 Ti2 Fe3 O10\n1.0\n5.037435 -0.104536 0.060525\n0.945622 4.888716 0.106524\n2.224292 1.838605 7.113790\nLi Ti Fe O\n3 2 3 10\ndirect\n0.509924 0.776128 0.407096 Li\n-0.000000 0.500001 0.500000 Li\n0.490074 0.223872 0.592905 Li\n0.004253 0.874024 0.694236 Ti\n0.995745 0.125976 0.305765 Ti\n0.499999 -0.000001 0.000000 Fe\n0.986444 0.302717 0.903159 Fe\n0.013554 0.697283 0.096841 Fe\n0.220109 0.349024 0.050541 O\n0.762929 0.218730 0.766829 O\n0.788337 0.466657 0.331915 O\n0.211661 0.533343 0.668086 O\n0.214065 0.959382 0.864113 O\n0.779889 0.650977 0.949459 O\n0.772623 0.885162 0.532866 O\n0.227374 0.114839 0.467135 O\n0.237069 0.781270 0.233171 O\n0.785933 0.040619 0.135887 O\n",
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{
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"created_at": "2022-09-04T14:37:19.302498Z",
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"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n5.287035 0.000000 0.000000\n0.000000 5.287035 -0.000000\n0.000000 0.000000 4.923510\nTi Zn Bi O\n1 1 2 6\ndirect\n0.500000 0.500000 0.415002 Ti\n0.000000 0.000000 0.444644 Zn\n0.000000 0.500000 0.993291 Bi\n0.500000 0.000000 0.993291 Bi\n0.257081 0.257081 0.273959 O\n0.257081 0.742918 0.273959 O\n0.000000 0.000000 0.831191 O\n0.500000 0.500000 0.779749 O\n0.742918 0.742918 0.273959 O\n0.742918 0.257081 0.273959 O\n",
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{
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"structure_string": "Na3 Co2 Sb1 O6\n1.0\n5.352128 0.036145 0.009503\n-2.633027 4.659547 0.004498\n-0.905675 -1.558007 5.348651\nNa Co Sb O\n3 2 1 6\ndirect\n0.176329 0.823664 0.500000 Na\n0.823671 0.176335 0.500000 Na\n0.500001 0.499999 0.500000 Na\n0.661732 0.338221 0.000003 Co\n0.338267 0.661778 -0.000004 Co\n-0.000003 -0.000002 -0.000003 Sb\n0.067163 0.386482 0.206647 O\n0.613532 0.932858 0.793344 O\n0.386470 0.067142 0.206657 O\n0.932838 0.613518 0.793354 O\n0.246164 0.246176 0.790470 O\n0.753837 0.753823 0.209530 O\n",
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{
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"created_at": "2022-09-04T14:37:19.286789Z",
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]
}