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{
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"spacegroup": 194
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{
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"structure_string": "Ti4 Sn2 C2\n1.0\n1.590526 -2.754872 0.000000\n1.590526 2.754872 -0.000000\n-0.000000 0.000000 13.743769\nTi Sn C\n4 2 2\ndirect\n0.333335 0.666668 0.080910 Ti\n0.333335 0.666668 0.419090 Ti\n0.666668 0.333335 0.580910 Ti\n0.666668 0.333335 0.919091 Ti\n0.333335 0.666668 0.750000 Sn\n0.666668 0.333335 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"formula_full": "Ti4 Sn2 C2",
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"formula_anonymous": "ABC2",
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"spacegroup": 194
},
{
"id": "jvasp-23520",
"created_at": "2022-09-04T14:37:33.140767Z",
"updated_at": "2022-09-04T14:37:33.140787Z",
"structure_string": "Ti6 Sn2 C4\n1.0\n1.576335 -2.730292 -0.000000\n1.576335 2.730292 0.000000\n0.000000 -0.000000 18.697634\nTi Sn C\n6 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333335 0.666668 0.875523 Ti\n0.333335 0.666668 0.624477 Ti\n0.000000 0.000000 0.500000 Ti\n0.666668 0.333335 0.375523 Ti\n0.666668 0.333335 0.124477 Ti\n0.000000 0.000000 0.750000 Sn\n0.000000 0.000000 0.250000 Sn\n0.333335 0.666668 0.068447 C\n0.666668 0.333335 0.931553 C\n0.666668 0.333335 0.568447 C\n0.333335 0.666668 0.431553 C\n",
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"formula_full": "Ti6 Sn2 C4",
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{
"id": "jvasp-91383",
"created_at": "2022-09-04T14:36:31.342669Z",
"updated_at": "2022-09-04T14:36:31.342698Z",
"structure_string": "Ti2 Sn12 F32\n1.0\n7.552883 0.000000 0.000000\n-3.776441 9.012771 -0.068152\n0.000000 -0.002712 11.089981\nTi Sn F\n2 12 32\ndirect\n0.338017 0.000000 0.750000 Ti\n0.661983 0.000000 0.250000 Ti\n0.113139 0.417262 0.175528 Sn\n0.894766 0.141095 0.892017 Sn\n0.753672 0.858905 0.607983 Sn\n0.246327 0.141095 0.392017 Sn\n0.521269 0.293971 0.039313 Sn\n0.105234 0.858905 0.107984 Sn\n0.478731 0.706029 0.960687 Sn\n0.772702 0.293971 0.539313 Sn\n0.304122 0.417262 0.675528 Sn\n0.886861 0.582738 0.824472 Sn\n0.695878 0.582738 0.324472 Sn\n0.227298 0.706029 0.460687 Sn\n0.411309 0.857279 0.221064 F\n0.129064 0.257502 0.011192 F\n0.128438 0.257502 0.511192 F\n0.870936 0.742498 0.988808 F\n0.554028 0.142721 0.278937 F\n0.445972 0.857279 0.721063 F\n0.314520 0.944487 0.914568 F\n0.090802 0.855869 0.714838 F\n0.234933 0.144131 0.785162 F\n0.909198 0.144131 0.285162 F\n0.765067 0.855869 0.214838 F\n0.370031 0.055513 0.585432 F\n0.871562 0.742498 0.488808 F\n0.588691 0.142721 0.778936 F\n0.719705 0.445147 0.160732 F\n0.505007 0.319760 0.458162 F\n0.280294 0.554853 0.839268 F\n0.725443 0.445148 0.660732 F\n0.814753 0.319760 0.958162 F\n0.494993 0.680240 0.541838 F\n0.185247 0.680240 0.041838 F\n0.629968 0.944487 0.414568 F\n0.592224 0.472506 0.905461 F\n0.119718 0.527494 0.594538 F\n0.407776 0.527494 0.094539 F\n0.880282 0.472506 0.405462 F\n0.003241 0.300355 0.746067 F\n0.702886 0.699645 0.753933 F\n0.996759 0.699645 0.253933 F\n0.297114 0.300355 0.246067 F\n0.274557 0.554853 0.339268 F\n0.685480 0.055513 0.085432 F\n",
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"volume": 754.920280633271,
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"formula_full": "Ti2 Sn12 F32",
"formula_reduced": "TiSn6F16",
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"spacegroup": 15
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{
"id": "jvasp-53964",
"created_at": "2022-09-04T14:35:51.373291Z",
"updated_at": "2022-09-04T14:35:51.373314Z",
"structure_string": "Ti3 Sn1 H1\n1.0\n4.166383 -0.000000 0.000000\n-0.000000 4.166383 -0.000000\n0.000000 -0.000000 4.166383\nTi Sn H\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 H\n",
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"formula_full": "Ti3 Sn1 H1",
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},
{
"id": "jvasp-101089",
"created_at": "2022-09-04T14:37:15.141449Z",
"updated_at": "2022-09-04T14:37:15.141471Z",
"structure_string": "Ti1 Sn1 Ir1\n1.0\n3.797632 -0.000000 2.192564\n1.265877 3.580442 2.192564\n-0.000000 -0.000000 4.385128\nTi Sn Ir\n1 1 1\ndirect\n0.500000 0.500000 0.499999 Ti\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 3,
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"elements": [
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],
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},
{
"id": "jvasp-115341",
"created_at": "2022-09-04T14:38:42.078440Z",
"updated_at": "2022-09-04T14:38:42.078466Z",
"structure_string": "Ti1 Sn1 O3\n1.0\n3.937544 0.000000 -0.000000\n0.000000 3.937544 0.000000\n0.000000 0.000000 3.937544\nTi Sn O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Ti\n0.000000 0.000000 0.000000 Sn\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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{
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"structure_string": "Ti3 Sn3 O12\n1.0\n-4.753801 4.753801 3.121831\n-0.019806 4.730300 -3.116004\n-4.730300 0.019806 -3.116004\nTi Sn O\n3 3 12\ndirect\n0.687409 0.324143 0.324143 Ti\n0.179629 0.344728 0.344728 Ti\n0.998405 0.003942 0.003942 Ti\n0.833703 0.663170 0.663170 Sn\n0.329927 0.668123 0.668123 Sn\n0.497553 0.001487 0.001487 Sn\n0.010623 0.294609 0.691605 O\n0.660067 0.625782 0.033471 O\n0.025706 0.779201 0.779201 O\n0.370851 0.429776 0.429776 O\n0.711406 0.099696 0.099696 O\n0.284651 0.906677 0.906677 O\n0.634278 0.552417 0.552417 O\n0.323632 0.984007 0.367613 O\n0.660067 0.033471 0.625782 O\n0.323632 0.367613 0.984007 O\n0.957845 0.229547 0.229547 O\n0.010623 0.691605 0.294609 O\n",
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{
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"created_at": "2022-09-04T14:38:06.233376Z",
"updated_at": "2022-09-04T14:38:06.233401Z",
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{
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{
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}
]
}