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{
"id": "jvasp-119645",
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"structure_string": "Ta1 Nb1 Cu3 O8\n1.0\n5.224224 0.001239 0.672442\n2.020361 4.866462 1.553497\n-0.005859 0.019609 6.029318\nTa Nb Cu O\n1 1 3 8\ndirect\n0.776717 0.464717 0.349240 Ta\n0.220623 0.537687 0.653130 Nb\n0.999973 0.001052 0.001204 Cu\n0.544909 0.925802 0.760043 Cu\n0.455655 0.075603 0.238354 Cu\n0.763148 0.800485 0.098408 O\n0.240728 0.197148 0.904105 O\n0.737890 0.255363 0.165317 O\n0.261699 0.748845 0.834718 O\n0.827491 0.683082 0.596021 O\n0.168286 0.313096 0.401090 O\n0.637359 0.262307 0.633668 O\n0.365514 0.734815 0.364703 O\n",
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{
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{
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"created_at": "2022-09-04T14:35:58.668005Z",
"updated_at": "2022-09-04T14:35:58.668054Z",
"structure_string": "Ta2 P8 S10 Cl10\n1.0\n6.274399 -0.057617 -1.518116\n-3.319035 9.414212 -1.309117\n0.002158 0.055605 12.720143\nTa P S Cl\n2 8 10 10\ndirect\n0.384738 0.262125 0.149340 Ta\n0.615262 0.737874 0.850659 Ta\n0.073287 0.420856 0.690871 P\n0.956529 0.896834 0.254914 P\n0.926712 0.579143 0.309128 P\n0.751415 0.683212 0.411532 P\n0.043470 0.103165 0.745085 P\n0.120366 0.816259 0.512522 P\n0.248584 0.316787 0.588467 P\n0.879633 0.183740 0.487477 P\n0.659115 0.816430 0.311516 S\n0.989385 0.697819 0.187523 S\n0.214211 0.636073 0.447255 S\n0.830310 0.369608 0.246156 S\n0.010615 0.302180 0.812476 S\n0.785788 0.363926 0.552744 S\n0.207231 0.971533 0.413960 S\n0.169689 0.630391 0.753843 S\n0.340885 0.183569 0.688483 S\n0.792768 0.028466 0.586039 S\n0.521924 0.785556 0.014387 Cl\n0.478075 0.214443 -0.014388 Cl\n0.386440 0.487596 0.124423 Cl\n0.613560 0.512403 0.875576 Cl\n0.458007 0.056639 0.195143 Cl\n0.651056 0.683033 0.669134 Cl\n0.541992 0.943360 0.804856 Cl\n0.999261 0.845657 0.928846 Cl\n0.000738 0.154342 0.071153 Cl\n0.348944 0.316966 0.330865 Cl\n",
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{
"id": "jvasp-101371",
"created_at": "2022-09-04T14:36:31.645453Z",
"updated_at": "2022-09-04T14:36:31.645473Z",
"structure_string": "Ta2 P8 S12 Cl10\n1.0\n6.737700 -0.005476 -0.673386\n-2.769641 10.441271 -2.135082\n0.015172 0.036961 11.287070\nTa P S Cl\n2 8 12 10\ndirect\n0.481525 0.736016 0.857718 Ta\n0.518475 0.263983 0.142282 Ta\n0.968481 0.574854 0.283793 P\n0.277020 0.834631 0.456475 P\n0.946706 0.803491 0.511899 P\n0.031519 0.425145 0.716207 P\n0.053293 0.196508 0.488100 P\n0.722979 0.165368 0.543525 P\n0.054296 0.125154 0.773100 P\n0.945703 0.874845 0.226900 P\n0.893169 0.669906 0.149018 S\n0.793414 0.886567 0.383853 S\n0.206586 0.113433 0.616147 S\n0.078949 0.611315 0.791687 S\n0.816024 0.602661 0.436648 S\n0.921051 0.388685 0.208313 S\n0.746207 0.060657 0.682629 S\n0.278517 0.645973 0.359232 S\n0.721483 0.354026 0.640767 S\n0.183975 0.397338 0.563352 S\n0.253792 0.939343 0.317371 S\n0.106831 0.330093 0.850982 S\n0.441278 0.457266 0.134080 Cl\n0.187248 0.136859 0.089525 Cl\n0.558721 0.542733 0.865920 Cl\n0.672738 0.099343 0.171532 Cl\n0.515035 0.693702 0.647776 Cl\n0.414705 0.760375 0.058845 Cl\n0.484964 0.306298 0.352223 Cl\n0.585294 0.239625 0.941155 Cl\n0.327261 0.900656 0.828468 Cl\n0.812751 0.863140 0.910475 Cl\n",
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{
"id": "jvasp-31871",
"created_at": "2022-09-04T14:37:32.133540Z",
"updated_at": "2022-09-04T14:37:32.133564Z",
"structure_string": "Ta2 Te4 Br10 O1\n1.0\n6.922785 0.020359 0.439596\n2.329350 8.389399 1.236490\n-0.007549 -0.011804 9.216561\nTa Te Br O\n2 4 10 1\ndirect\n0.508891 0.643762 0.633634 Ta\n0.491109 0.356239 0.366366 Ta\n0.921451 0.805136 0.004808 Te\n0.820882 0.098142 0.837726 Te\n0.078550 0.194864 0.995192 Te\n0.179118 0.901859 0.162274 Te\n0.159841 0.805387 0.574362 Br\n0.374549 0.475403 0.840201 Br\n0.840160 0.194613 0.425639 Br\n0.866246 0.478818 0.710010 Br\n0.625451 0.524598 0.159799 Br\n0.479825 0.157094 0.178798 Br\n0.520175 0.842907 0.821203 Br\n0.336143 0.196668 0.559368 Br\n0.663857 0.803333 0.440632 Br\n0.133754 0.521183 0.289990 Br\n0.500000 0.500000 0.500000 O\n",
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"elements": [
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"volume": 534.9590068091328,
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"formula_full": "Ta2 Te4 Br10 O1",
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},
{
"id": "jvasp-102675",
"created_at": "2022-09-04T14:36:56.056588Z",
"updated_at": "2022-09-04T14:36:56.056603Z",
"structure_string": "Ta1 Ti1 C1 N1\n1.0\n2.961111 -0.002859 4.490125\n1.345136 2.637953 4.490125\n-0.004673 -0.002859 5.378603\nTa Ti C N\n1 1 1 1\ndirect\n0.747207 0.747204 0.747203 Ta\n0.253993 0.253992 0.253992 Ti\n0.997942 0.997937 0.997936 C\n0.500863 0.500861 0.500860 N\n",
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{
"id": "jvasp-111775",
"created_at": "2022-09-04T14:38:53.977574Z",
"updated_at": "2022-09-04T14:38:53.977605Z",
"structure_string": "Ta8 Ti8 Co8 C4\n1.0\n7.032884 -0.007983 -4.029031\n-2.366255 6.622867 -4.029031\n0.005632 0.007983 8.105216\nTa Ti Co C\n8 8 8 4\ndirect\n0.309385 0.309385 0.000000 Ta\n0.690616 0.690616 0.000001 Ta\n0.559990 0.059991 0.119980 Ta\n0.940009 0.440010 0.880021 Ta\n0.940009 0.059991 0.500000 Ta\n0.559990 0.440010 0.500000 Ta\n0.936104 0.436104 0.500000 Ta\n0.563896 0.063896 0.500000 Ta\n0.684760 0.315240 0.000000 Ti\n0.315240 0.684761 0.000001 Ti\n0.684760 0.684761 0.369521 Ti\n0.315240 0.315240 0.630480 Ti\n0.624502 0.877568 0.746935 Ti\n0.130633 0.877568 0.253066 Ti\n0.122433 0.375498 0.253066 Ti\n0.122433 0.869367 0.746935 Ti\n0.914125 0.749290 0.835165 Co\n0.921039 0.085875 0.835164 Co\n0.250710 0.085875 0.164836 Co\n0.914124 0.078961 0.164836 Co\n0.333601 0.002830 0.669227 Co\n0.335626 0.666399 0.669228 Co\n0.997170 0.666399 0.330773 Co\n0.333602 0.664374 0.330773 Co\n0.128366 0.376796 0.751569 C\n0.623204 0.871635 0.248432 C\n0.625227 0.376797 0.248432 C\n0.623204 0.374773 0.751569 C\n",
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{
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"structure_string": "Ta2 Ti2 Ga2 O12\n1.0\n4.663913 -0.000000 0.000000\n-0.000000 4.663913 0.000000\n0.000000 0.000000 9.073186\nTa Ti Ga O\n2 2 2 12\ndirect\n0.500000 0.500000 0.833402 Ta\n0.000000 0.000000 0.333401 Ta\n0.500000 0.500000 0.499440 Ti\n0.000000 0.000000 0.999440 Ti\n0.500000 0.500000 0.167467 Ga\n0.000000 0.000000 0.667467 Ga\n0.699589 0.699589 0.998863 O\n0.304614 0.304614 0.665629 O\n0.304436 0.304436 0.335355 O\n0.300410 0.300410 0.998863 O\n0.804435 0.195564 0.835355 O\n0.195564 0.804435 0.835355 O\n0.804613 0.195386 0.165629 O\n0.695564 0.695564 0.335355 O\n0.199589 0.800410 0.498863 O\n0.195386 0.804613 0.165629 O\n0.800410 0.199589 0.498863 O\n0.695386 0.695386 0.665629 O\n",
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{
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"structure_string": "Ta2 Ti2 Nb1 C5\n1.0\n3.119078 0.001621 12.526374\n1.537457 2.713831 12.526374\n0.002780 0.001621 12.908861\nTa Ti Nb C\n2 2 1 5\ndirect\n0.899991 0.899987 0.899987 Ta\n0.498251 0.498249 0.498249 Ta\n0.098620 0.098619 0.098620 Ti\n0.701372 0.701370 0.701370 Ti\n0.301648 0.301647 0.301647 Nb\n0.400218 0.400217 0.400217 C\n0.199119 0.199119 0.199119 C\n0.798362 0.798359 0.798359 C\n0.002409 0.002409 0.002409 C\n0.600020 0.600018 0.600018 C\n",
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"structure_string": "Ta1 Ti1 W1 C3\n1.0\n3.114082 0.000000 0.000000\n-1.557040 2.696874 0.000000\n0.000000 0.000000 7.623174\nTa Ti W C\n1 1 1 3\ndirect\n0.333333 0.666666 0.168553 Ta\n0.000000 0.000000 0.503436 Ti\n0.666666 0.333333 0.829085 W\n0.333333 0.666666 0.666044 C\n0.000000 0.000000 0.995684 C\n0.666666 0.333333 0.337196 C\n",
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{
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"created_at": "2022-09-04T14:38:15.611059Z",
"updated_at": "2022-09-04T14:38:15.611069Z",
"structure_string": "Ta2 Tl3 Cu3 S8\n1.0\n-5.569318 0.000677 -0.000119\n-0.000107 -7.272029 0.023579\n2.784628 1.053155 9.653637\nTa Tl Cu S\n2 3 3 8\ndirect\n0.137245 0.808852 0.736793 Ta\n0.400483 0.191124 0.263203 Ta\n0.687009 0.705734 0.357766 Tl\n0.329015 0.294216 0.642245 Tl\n0.013806 0.500001 0.000017 Tl\n0.266485 0.000053 0.999962 Cu\n0.641745 0.819433 0.746638 Cu\n0.895142 0.180586 0.253388 Cu\n0.737935 0.129635 0.438791 S\n0.940351 0.065281 0.809221 S\n0.299132 0.870306 0.561204 S\n0.848981 0.566951 0.667551 S\n0.131042 0.934736 0.190718 S\n0.541433 0.259086 0.077065 S\n0.464323 0.740980 0.922953 S\n0.181579 0.433031 0.332489 S\n",
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"volume": 391.1105693741877,
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{
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"created_at": "2022-09-04T14:37:19.233161Z",
"updated_at": "2022-09-04T14:37:19.233184Z",
"structure_string": "Ta2 Tl2 Cu4 S8\n1.0\n5.303715 0.000000 -1.619082\n0.000000 7.380482 0.000000\n0.013787 -0.000000 9.541542\nTa Tl Cu S\n2 2 4 8\ndirect\n0.389828 0.250000 0.772958 Ta\n0.616870 0.750000 0.227042 Ta\n0.449859 0.250000 0.364122 Tl\n0.085737 0.750000 0.635878 Tl\n0.111836 0.750000 0.216845 Cu\n0.526681 0.000000 0.000000 Cu\n0.894992 0.250000 0.783156 Cu\n0.526681 0.500000 0.000000 Cu\n0.638474 0.503791 0.782260 S\n0.856215 0.496209 0.217741 S\n0.638474 -0.003791 0.782260 S\n0.856215 0.003791 0.217741 S\n0.038874 0.250000 0.573619 S\n0.272614 0.750000 0.015208 S\n0.257408 0.250000 0.984792 S\n0.465256 0.750000 0.426382 S\n",
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]
}