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{
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{
"id": "jvasp-15295",
"created_at": "2022-09-04T14:36:58.544754Z",
"updated_at": "2022-09-04T14:36:58.544784Z",
"structure_string": "Tm1 Mn2 Ge2\n1.0\n3.688846 0.000000 -1.264846\n-0.433695 3.663263 -1.264846\n0.014473 0.016287 6.053780\nTm Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.249999 0.750000 0.499999 Mn\n0.750000 0.250000 0.499999 Mn\n0.618228 0.618228 0.236457 Ge\n0.381771 0.381772 0.763541 Ge\n",
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{
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"structure_string": "Lu1 Mg2 Mn3 S8\n1.0\n6.386470 0.006376 3.759089\n2.151778 6.012716 3.760101\n0.012071 0.007850 7.412668\nLu Mg Mn S\n1 2 3 8\ndirect\n0.499999 0.500002 0.500000 Lu\n0.875468 0.875473 0.875490 Mg\n0.124531 0.124525 0.124509 Mg\n0.499998 0.499998 0.000001 Mn\n0.000001 0.500000 0.499999 Mn\n0.500003 0.000001 0.500002 Mn\n0.740720 0.740713 0.740889 S\n0.248232 0.248216 0.720209 S\n0.248275 0.720178 0.248331 S\n0.720179 0.248286 0.248350 S\n0.751727 0.279819 0.751668 S\n0.279821 0.751720 0.751648 S\n0.259281 0.259283 0.259113 S\n0.751768 0.751788 0.279790 S\n",
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{
"id": "jvasp-120383",
"created_at": "2022-09-04T14:38:53.125453Z",
"updated_at": "2022-09-04T14:38:53.125480Z",
"structure_string": "As2 P1\n1.0\n5.380414 0.000000 -1.230640\n0.000000 2.812861 0.000000\n-1.534893 0.000000 5.304696\nAs P\n2 1\ndirect\n-0.522469 0.000000 -0.448971 As\n0.217499 0.000000 0.810781 As\n0.704970 0.000000 0.038190 P\n",
"nsites": 3,
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"volume": 74.96994630025485,
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"spacegroup": 38
},
{
"id": "jvasp-39226",
"created_at": "2022-09-04T14:37:53.876845Z",
"updated_at": "2022-09-04T14:37:53.876866Z",
"structure_string": "Sb1 Pt3\n1.0\n-2.016752 2.016752 4.271980\n2.016752 -2.016752 4.271980\n2.016752 2.016752 -4.271980\nSb Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.750001 0.250000 0.500000 Pt\n0.250000 0.750001 0.500000 Pt\n0.500001 0.500001 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 16.89202392242767,
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"volume": 69.50150271787399,
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"spacegroup": 139
},
{
"id": "jvasp-24288",
"created_at": "2022-09-04T14:38:20.530643Z",
"updated_at": "2022-09-04T14:38:20.530656Z",
"structure_string": "Er4 Te10 O26\n1.0\n6.912572 -0.019428 0.010383\n2.247174 8.314130 0.009521\n0.539385 0.014602 10.508749\nEr Te O\n4 10 26\ndirect\n0.553561 0.531001 0.180379 Er\n0.998915 0.736121 0.238310 Er\n0.446439 0.468999 0.819621 Er\n0.001085 0.263878 0.761689 Er\n0.127407 0.346487 0.105778 Te\n0.290786 0.882182 0.970498 Te\n0.434726 0.909370 0.304609 Te\n0.727281 0.605472 0.521075 Te\n0.841901 0.196784 0.366525 Te\n0.565274 0.090630 0.695391 Te\n0.709214 0.117817 0.029502 Te\n0.272719 0.394527 0.478925 Te\n0.158099 0.803216 0.633475 Te\n0.872593 0.653513 0.894222 Te\n0.761758 0.502779 0.813526 O\n0.468561 0.673505 -0.001532 O\n0.538552 0.810626 0.487473 O\n0.942699 0.179633 0.964031 O\n0.345875 0.991664 0.123841 O\n0.936181 0.981595 0.312368 O\n0.063819 0.018405 0.687632 O\n0.687846 0.262008 0.710697 O\n0.531438 0.326495 0.001532 O\n0.670081 0.777867 0.223206 O\n0.238242 0.497220 0.186474 O\n0.668216 0.259997 0.229122 O\n0.312155 0.737992 0.289302 O\n0.932490 0.732879 0.718057 O\n0.339731 0.511763 0.615118 O\n0.329919 0.222133 0.776794 O\n0.067511 0.267121 0.281943 O\n0.461448 0.189373 0.512527 O\n0.331784 0.740003 0.770878 O\n0.876747 0.511688 0.106837 O\n0.057301 0.820367 0.035969 O\n0.654125 0.008335 0.876159 O\n0.042039 0.350166 0.563759 O\n0.660270 0.488237 0.384882 O\n0.123253 0.488312 0.893163 O\n0.957962 0.649833 0.436240 O\n",
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],
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"volume": 604.3705654077669,
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"formula_full": "Er4 Te10 O26",
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{
"id": "jvasp-18400",
"created_at": "2022-09-04T14:38:13.808613Z",
"updated_at": "2022-09-04T14:38:13.808632Z",
"structure_string": "Th1 H2\n1.0\n3.436378 0.015706 -1.622505\n-2.060522 3.144444 -0.555136\n0.010292 -0.015706 3.800146\nTh H\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.749999 0.250000 H\n0.500000 0.249999 0.750001 H\n",
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"elements": [
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"volume": 41.15540184596922,
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"formula_full": "Th1 H2",
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"formula_anonymous": "AB2",
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"spacegroup": 139
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{
"id": "jvasp-40775",
"created_at": "2022-09-04T14:37:48.018878Z",
"updated_at": "2022-09-04T14:37:48.018904Z",
"structure_string": "Ti1 Fe1 Se1\n1.0\n3.438027 -0.000000 1.984946\n1.146009 3.241403 1.984946\n0.000000 0.000000 3.969892\nTi Fe Se\n1 1 1\ndirect\n0.500001 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
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"elements": [
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"density": 6.8564620469420205,
"density_atomic": 0.06781101577124855,
"volume": 44.24059964121613,
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"formula_full": "Ti1 Fe1 Se1",
"formula_reduced": "TiFeSe",
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},
{
"id": "jvasp-93338",
"created_at": "2022-09-04T14:36:18.153356Z",
"updated_at": "2022-09-04T14:36:18.153385Z",
"structure_string": "Sm2 Co4\n1.0\n-3.601563 -3.601563 0.000000\n-3.601563 0.000000 -3.601563\n0.000000 -3.601563 -3.601563\nSm Co\n2 4\ndirect\n0.749999 0.749999 0.749999 Sm\n0.000000 0.000000 0.000000 Sm\n0.874999 0.375000 0.375000 Co\n0.375000 0.874999 0.375000 Co\n0.375000 0.375000 0.874999 Co\n0.375000 0.375000 0.375000 Co\n",
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{
"id": "jvasp-14662",
"created_at": "2022-09-04T14:35:54.368376Z",
"updated_at": "2022-09-04T14:35:54.368403Z",
"structure_string": "Sm2 Co4\n1.0\n4.411052 0.000000 2.546722\n1.470350 4.158779 2.546722\n-0.000000 0.000000 5.093443\nSm Co\n2 4\ndirect\n0.875000 0.875000 0.874999 Sm\n0.125000 0.125000 0.125000 Sm\n0.500000 0.500000 0.499999 Co\n0.500000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n",
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{
"id": "jvasp-39225",
"created_at": "2022-09-04T14:37:53.280184Z",
"updated_at": "2022-09-04T14:37:53.280204Z",
"structure_string": "Sb1 Pt3\n1.0\n0.000000 3.264369 3.264369\n3.264369 -0.000000 3.264369\n3.264369 3.264369 0.000000\nSb Pt\n1 3\ndirect\n0.750000 0.750000 0.750000 Sb\n0.000000 0.000000 0.000000 Pt\n0.500001 0.500001 0.500001 Pt\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-55135",
"created_at": "2022-09-04T14:38:29.830938Z",
"updated_at": "2022-09-04T14:38:29.830967Z",
"structure_string": "K2 Sr2 Nb4 O12 F2\n1.0\n3.907790 0.000043 -0.000255\n-0.000037 7.779363 -0.000072\n-1.953332 -3.889461 11.209787\nK Sr Nb O F\n2 2 4 12 2\ndirect\n0.237142 0.237113 0.474225 K\n0.762858 0.762886 0.525775 K\n-0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.607938 0.353797 0.215841 Nb\n0.607932 0.862045 0.215841 Nb\n0.392062 0.646203 0.784159 Nb\n0.392067 0.137955 0.784159 Nb\n0.594725 0.594705 0.189410 O\n0.084626 0.332240 0.169218 O\n0.915380 0.163027 0.830782 O\n0.312382 0.593744 0.624825 O\n0.405275 0.405295 0.810590 O\n0.422331 0.922350 0.844699 O\n0.915374 0.667760 0.830782 O\n0.084619 0.836972 0.169218 O\n0.687618 0.406256 0.375175 O\n0.577669 0.077650 0.155301 O\n0.312392 0.031080 0.624825 O\n0.687607 0.968919 0.375175 O\n0.500000 0.276842 0.000000 F\n0.499999 0.723157 -0.000000 F\n",
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{
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