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{
"id": "jvasp-7978",
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{
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"updated_at": "2022-09-04T14:37:04.869269Z",
"structure_string": "Al1 Mo4 S8\n1.0\n6.010288 0.015978 3.443849\n2.003321 5.666615 3.443849\n0.022533 0.015978 6.926988\nAl Mo S\n1 4 8\ndirect\n0.004152 0.004152 0.004152 Al\n0.401791 0.401792 0.811237 Mo\n0.811237 0.401792 0.401792 Mo\n0.401792 0.811236 0.401792 Mo\n0.401796 0.401796 0.401797 Mo\n0.638127 0.638127 0.638127 S\n0.102225 0.638131 0.638132 S\n0.638131 0.102225 0.638132 S\n0.138448 0.601279 0.138448 S\n0.138443 0.138443 0.138443 S\n0.138448 0.138448 0.601280 S\n0.601280 0.138448 0.138448 S\n0.638132 0.638131 0.102225 S\n",
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{
"id": "jvasp-11183",
"created_at": "2022-09-04T14:37:04.884167Z",
"updated_at": "2022-09-04T14:37:04.884202Z",
"structure_string": "Ta2 Al2 O8\n1.0\n3.800817 0.000000 0.000000\n-1.900409 5.830301 -1.866558\n0.000000 0.002008 6.517377\nTa Al O\n2 2 8\ndirect\n0.894505 0.789009 0.766749 Ta\n0.105495 0.210991 0.233251 Ta\n0.799532 0.599065 0.179660 Al\n0.200468 0.400936 0.820340 Al\n0.358169 0.716338 0.797154 O\n0.641832 0.283662 0.202847 O\n0.942309 0.884618 0.134740 O\n0.057691 0.115382 0.865260 O\n0.140813 0.281627 0.526060 O\n0.859187 0.718374 0.473940 O\n0.262393 0.524785 0.142173 O\n0.737607 0.475215 0.857827 O\n",
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{
"id": "jvasp-54776",
"created_at": "2022-09-04T14:37:04.895779Z",
"updated_at": "2022-09-04T14:37:04.895805Z",
"structure_string": "Sc4 H12 O12\n1.0\n-3.933603 3.933603 3.907352\n3.959854 -3.959854 3.959854\n3.907352 3.933603 -3.933603\nSc H O\n4 12 12\ndirect\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n-0.000000 0.500000 -0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.650949 0.958948 0.690721 H\n0.349050 0.041051 0.309278 H\n0.277856 0.823712 0.452209 H\n0.960227 0.692001 0.650949 H\n0.039772 0.307998 0.349050 H\n0.722144 0.176288 0.547790 H\n0.825646 0.454143 0.277856 H\n0.547790 0.371502 0.825646 H\n0.452209 0.628497 0.174354 H\n0.690721 0.731773 0.039772 H\n0.309278 0.268227 0.960227 H\n0.174354 0.545856 0.722144 H\n0.847363 0.173745 0.674782 O\n0.152636 0.826255 0.325217 O\n0.829950 0.685475 0.518789 O\n0.170049 0.314525 0.481210 O\n0.172580 0.673618 0.847363 O\n0.325217 0.498961 0.172580 O\n0.674782 0.501038 0.827419 O\n0.688838 0.855523 0.170049 O\n0.311161 0.144477 0.829950 O\n0.481210 0.166686 0.311161 O\n0.827419 0.326381 0.152636 O\n0.518789 0.833314 0.688838 O\n",
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"volume": 243.45410207162345,
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"formula_full": "Sc4 H12 O12",
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{
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"updated_at": "2022-09-04T14:37:04.902504Z",
"structure_string": "Ca1 Ti1 F6\n1.0\n4.789444 0.106226 3.208820\n1.767619 4.452593 3.208820\n0.152788 0.106226 5.762981\nCa Ti F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Ca\n0.000000 0.000000 0.000000 Ti\n0.357471 0.090432 0.777224 F\n0.090431 0.777224 0.357472 F\n0.222776 0.642529 0.909569 F\n0.909568 0.222777 0.642528 F\n0.642528 0.909569 0.222776 F\n0.777224 0.357472 0.090431 F\n",
"nsites": 8,
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{
"id": "jvasp-30340",
"created_at": "2022-09-04T14:37:04.906365Z",
"updated_at": "2022-09-04T14:37:04.906378Z",
"structure_string": "Cr1 Sb1 O4\n1.0\n4.700234 -0.211728 -0.129390\n7.668783 5.510453 -0.291439\n7.668753 3.884032 2.371795\nCr Sb O\n1 1 4\ndirect\n0.500002 0.999999 0.499999 Cr\n0.499999 0.500000 0.500001 Sb\n0.241062 -0.000009 0.244110 O\n0.239629 0.499993 0.236041 O\n0.758938 0.000009 0.755888 O\n0.760373 0.500008 0.763955 O\n",
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{
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"structure_string": "Sr1 Ge2 Ru2\n1.0\n4.049549 0.000000 -1.561560\n-0.602159 4.004528 -1.561560\n-0.002462 -0.002860 6.025183\nSr Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.639551 0.639551 0.279103 Ge\n0.360449 0.360449 0.720897 Ge\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
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{
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"created_at": "2022-09-04T14:37:04.926112Z",
"updated_at": "2022-09-04T14:37:04.926137Z",
"structure_string": "Rb1 Ca1 H3\n1.0\n4.508029 -0.000000 0.000000\n0.000000 4.508029 0.000000\n0.000000 -0.000000 4.508029\nRb Ca H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n",
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"structure_string": "Na2 Sb2 Se4\n1.0\n8.578359 0.000018 -0.002043\n8.578865 7.429609 0.005201\n4.290224 4.957309 3.389957\nNa Sb Se\n2 2 4\ndirect\n0.240917 0.500018 -0.000002 Na\n0.509083 -0.000018 0.000003 Na\n0.974096 -0.000025 0.000023 Sb\n0.775905 0.500024 -0.000021 Sb\n0.539073 0.478807 0.509359 Se\n0.210927 0.021193 0.490643 Se\n0.006038 0.521228 0.490636 Se\n0.743962 0.978772 0.509366 Se\n",
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}