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{
"id": "jvasp-40201",
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{
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"updated_at": "2022-09-04T14:38:29.538679Z",
"structure_string": "H3 Cl1 O1\n1.0\n3.923337 -0.100825 -0.080518\n1.017615 3.790409 -0.080518\n1.017615 0.759889 3.714331\nH Cl O\n3 1 1\ndirect\n0.352702 0.701170 0.701169 H\n0.701170 0.352703 0.701169 H\n0.701170 0.701170 0.352702 H\n-0.005129 -0.005129 -0.005129 Cl\n0.546083 0.546084 0.546083 O\n",
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{
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"created_at": "2022-09-04T14:38:13.265961Z",
"updated_at": "2022-09-04T14:38:13.265982Z",
"structure_string": "Ca2 C2 O6\n1.0\n4.319036 0.000000 0.000000\n0.000000 4.962645 0.000000\n0.000000 0.000000 4.947644\nCa C O\n2 2 6\ndirect\n0.604681 0.500000 0.000000 Ca\n0.395320 0.000000 0.500000 Ca\n0.989365 0.000000 0.000000 C\n0.010636 0.500000 0.500000 C\n0.131713 0.227773 0.000000 O\n0.131713 0.772228 0.000000 O\n0.313642 0.500000 0.500000 O\n0.686358 0.000000 0.000000 O\n0.868288 0.272227 0.500000 O\n0.868288 0.727774 0.500000 O\n",
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"formula_full": "Ca2 C2 O6",
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{
"id": "jvasp-11275",
"created_at": "2022-09-04T14:38:29.136267Z",
"updated_at": "2022-09-04T14:38:29.136294Z",
"structure_string": "Al2 V2 O6\n1.0\n1.561132 -2.703960 -0.000000\n1.561132 2.703960 -0.000000\n-0.000000 -0.000000 11.977224\nAl V O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666666 0.333332 0.750000 V\n0.333332 0.666666 0.250000 V\n0.333332 0.666666 0.423194 O\n0.666666 0.333332 0.923194 O\n0.666666 0.333332 0.576806 O\n0.333332 0.666666 0.076806 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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{
"id": "jvasp-11272",
"created_at": "2022-09-04T14:38:28.744824Z",
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"structure_string": "Y2 Sn2 O6\n1.0\n1.847876 -3.200616 -0.000000\n1.847876 3.200616 0.000000\n0.000000 -0.000000 12.676153\nY Sn O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666668 0.333334 0.750000 Sn\n0.333334 0.666668 0.250000 Sn\n0.333334 0.666668 0.423162 O\n0.666668 0.333334 0.923162 O\n0.666668 0.333334 0.576838 O\n0.333334 0.666668 0.076838 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:08.045428Z",
"updated_at": "2022-09-04T14:38:08.045452Z",
"structure_string": "Rb2 Pb2 Cl6\n1.0\n0.000000 4.270273 0.000054\n10.786260 0.000000 0.000000\n0.000000 -2.134149 -6.840926\nRb Pb Cl\n2 2 6\ndirect\n0.749216 0.009544 0.498446 Rb\n0.250784 0.509544 0.501555 Rb\n-0.000005 0.759540 -0.000012 Pb\n0.000005 0.259540 0.000012 Pb\n0.640633 0.706727 0.281230 Cl\n0.359367 0.206727 0.718771 Cl\n0.640645 0.312351 0.281255 Cl\n0.359355 0.812351 0.718746 Cl\n0.069369 0.009539 0.138803 Cl\n0.930631 0.509539 0.861198 Cl\n",
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"elements": [
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"volume": 315.0936887292898,
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{
"id": "jvasp-109002",
"created_at": "2022-09-04T14:38:15.494202Z",
"updated_at": "2022-09-04T14:38:15.494229Z",
"structure_string": "Rb2 Tl2 Br6\n1.0\n7.096402 -0.000000 4.097110\n2.365467 6.690552 4.097110\n-0.000000 -0.000000 8.194219\nRb Tl Br\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.757632 0.242368 0.242368 Br\n0.242368 0.242368 0.757632 Br\n0.242369 0.757632 0.757632 Br\n0.242369 0.757632 0.242368 Br\n0.757632 0.242368 0.757632 Br\n0.757632 0.757632 0.242368 Br\n",
"nsites": 10,
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{
"id": "jvasp-37676",
"created_at": "2022-09-04T14:38:07.514706Z",
"updated_at": "2022-09-04T14:38:07.514725Z",
"structure_string": "La1 Be1 O3\n1.0\n3.701209 -0.000000 0.000000\n0.000000 3.701209 -0.000000\n0.000000 0.000000 3.701209\nLa Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:29.315956Z",
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"structure_string": "Rb2 Au2 Br6\n1.0\n6.621581 0.000000 3.125332\n2.543474 6.052507 3.188364\n0.098294 0.123278 8.368921\nRb Au Br\n2 2 6\ndirect\n0.268870 0.231240 0.231019 Rb\n0.731129 0.768761 0.768981 Rb\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 0.500000 Au\n0.203666 0.257147 0.816244 Br\n0.277056 0.742854 0.183756 Br\n0.796332 0.742854 0.183756 Br\n0.722942 0.257147 0.816243 Br\n0.722247 0.198534 0.356969 Br\n0.277751 0.801467 0.643030 Br\n",
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{
"id": "jvasp-17541",
"created_at": "2022-09-04T14:38:14.003001Z",
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{
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"structure_string": "Rb1 Pb1 Br3\n1.0\n5.925411 0.002075 0.087697\n0.003986 5.892528 -0.001785\n0.100657 0.004813 5.942322\nRb Pb Br\n1 1 3\ndirect\n-0.071873 -0.000538 0.952137 Rb\n0.515058 0.500095 0.500526 Pb\n0.563979 0.000128 0.479155 Br\n0.021184 0.499652 0.554846 Br\n0.531651 0.500661 0.003335 Br\n",
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