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{
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{
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{
"id": "jvasp-56656",
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"updated_at": "2022-09-04T14:38:33.033461Z",
"structure_string": "Ti4 Mn2 O8\n1.0\n5.243260 0.000000 3.027197\n1.747753 4.943393 3.027197\n-0.000000 -0.000000 6.054395\nTi Mn O\n4 2 8\ndirect\n0.500000 0.500000 0.000001 Ti\n0.500000 -0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.125000 0.125000 0.125000 Mn\n0.875000 0.874999 0.875001 Mn\n0.740018 0.740018 0.279945 O\n0.259981 0.259981 0.259982 O\n0.259981 0.259981 0.720056 O\n0.279944 0.740018 0.740019 O\n0.740018 0.279944 0.740018 O\n0.259981 0.720056 0.259982 O\n0.740018 0.740018 0.740019 O\n0.720056 0.259981 0.259982 O\n",
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{
"id": "jvasp-57382",
"created_at": "2022-09-04T14:37:01.936273Z",
"updated_at": "2022-09-04T14:37:01.936309Z",
"structure_string": "Ti4 Mn4 O12\n1.0\n5.163134 0.000000 0.000000\n0.000000 5.346492 0.000000\n0.000000 0.000000 7.531980\nTi Mn O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.009597 0.950930 0.750000 Mn\n0.990403 0.049069 0.250000 Mn\n0.509596 0.549069 0.250000 Mn\n0.490403 0.450930 0.750000 Mn\n0.381388 0.948969 0.250000 O\n0.118611 0.448969 0.250000 O\n0.618611 0.051031 0.750000 O\n0.683671 0.311168 0.062249 O\n0.881388 0.551031 0.750000 O\n0.316328 0.688832 0.937751 O\n0.816327 0.811167 0.437751 O\n0.183672 0.188832 0.937751 O\n0.683671 0.311168 0.437751 O\n0.816327 0.811167 0.062249 O\n0.183672 0.188832 0.562249 O\n0.316328 0.688832 0.562249 O\n",
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{
"id": "jvasp-20252",
"created_at": "2022-09-04T14:37:51.466923Z",
"updated_at": "2022-09-04T14:37:51.466943Z",
"structure_string": "Ti4 Mn8\n1.0\n2.360605 -4.088688 -0.000000\n2.360605 4.088688 -0.000000\n-0.000000 0.000000 7.799919\nTi Mn\n4 8\ndirect\n0.333334 0.666668 0.437003 Ti\n0.666668 0.333334 0.937003 Ti\n0.666668 0.333334 0.562997 Ti\n0.333334 0.666668 0.062997 Ti\n0.655431 0.827716 0.750000 Mn\n0.344571 0.172286 0.250000 Mn\n0.827716 0.172286 0.250000 Mn\n0.172286 0.344571 0.750000 Mn\n0.172286 0.827716 0.750000 Mn\n0.827716 0.655431 0.250000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n",
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"formula_full": "Ti4 Mn8",
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{
"id": "jvasp-34353",
"created_at": "2022-09-04T14:37:12.986463Z",
"updated_at": "2022-09-04T14:37:12.986483Z",
"structure_string": "Ti4 Mn8 O16\n1.0\n5.940034 0.000000 0.000000\n-0.000000 5.940034 -0.000000\n-0.000000 0.000000 8.459342\nTi Mn O\n4 8 16\ndirect\n0.500000 0.238355 0.000000 Ti\n0.761645 0.500000 0.750000 Ti\n0.238355 0.500000 0.250000 Ti\n0.500000 0.761645 0.500000 Ti\n0.751950 0.751950 0.125000 Mn\n0.248049 0.751950 0.875000 Mn\n0.248049 0.248049 0.625000 Mn\n0.751950 0.248049 0.375000 Mn\n0.249803 0.000000 0.250000 Mn\n0.750196 0.000000 0.750000 Mn\n0.000000 0.249803 0.000000 Mn\n0.000000 0.750196 0.500000 Mn\n0.249805 0.477537 0.010220 O\n0.750194 0.522463 0.510219 O\n0.750194 0.477537 0.989780 O\n0.249805 0.522463 0.489780 O\n0.477537 0.750194 0.260219 O\n0.522463 0.249805 0.760219 O\n0.981340 0.756957 0.735379 O\n0.981340 0.243042 0.764620 O\n0.756957 0.981340 0.514620 O\n0.756957 0.018659 -0.014620 O\n0.243042 0.981340 0.485379 O\n0.018659 0.756957 0.264620 O\n0.477537 0.249805 0.239780 O\n0.243042 0.018659 1.014620 O\n0.018659 0.243042 0.235380 O\n0.522463 0.750194 0.739780 O\n",
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{
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"created_at": "2022-09-04T14:38:48.413470Z",
"updated_at": "2022-09-04T14:38:48.413481Z",
"structure_string": "Ti4 Mn8 O16\n1.0\n6.154108 -0.000022 0.000083\n-0.000049 6.153975 0.000078\n0.000097 0.000093 8.603594\nTi Mn O\n4 8 16\ndirect\n0.500001 0.244704 0.000003 Ti\n0.755298 0.500000 0.749998 Ti\n0.244705 0.500001 0.249999 Ti\n0.500000 0.755296 0.499999 Ti\n0.748612 0.748597 0.124996 Mn\n0.251396 0.748612 0.874999 Mn\n0.251398 0.251382 0.625001 Mn\n0.748599 0.251409 0.375002 Mn\n0.250242 0.000002 0.250001 Mn\n0.749757 -0.000003 0.750000 Mn\n0.000003 0.250243 0.000001 Mn\n-0.000002 0.749757 0.499998 Mn\n0.266949 0.485580 0.018546 O\n0.733053 0.514428 0.518546 O\n0.733059 0.485577 0.981450 O\n0.266939 0.514417 0.481453 O\n0.485583 0.733063 0.268545 O\n0.514419 0.266944 0.768549 O\n0.968724 0.732499 0.750979 O\n0.968724 0.267515 0.749017 O\n0.732498 0.968723 0.499015 O\n0.732484 0.031278 0.000985 O\n0.267515 0.968718 0.500981 O\n0.031279 0.732483 0.249015 O\n0.485578 0.266949 0.231455 O\n0.267501 0.031280 0.999021 O\n0.031278 0.267503 0.250984 O\n0.514421 0.733050 0.731452 O\n",
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{
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{
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"structure_string": "Ti4 N2\n1.0\n3.819335 -0.000000 -1.625127\n-0.691492 3.756215 -1.625127\n0.005262 0.006319 5.312985\nTi N\n4 2\ndirect\n0.857118 0.607120 0.714237 Ti\n0.607118 0.857120 0.214237 Ti\n0.392881 0.142882 0.785761 Ti\n0.142881 0.392882 0.285761 Ti\n0.624999 0.375001 0.249999 N\n0.375000 0.625001 0.749999 N\n",
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{
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"structure_string": "Ti4 Nb2 Al2\n1.0\n5.642924 -0.010252 0.000000\n-2.391644 5.111040 0.000000\n0.000000 0.000000 4.674211\nTi Nb Al\n4 2 2\ndirect\n0.860990 0.665293 0.750000 Ti\n0.665293 0.860990 0.250000 Ti\n0.139010 0.334707 0.250000 Ti\n0.334707 0.139010 0.750000 Ti\n0.361581 0.638419 0.750000 Nb\n0.638419 0.361581 0.250000 Nb\n0.837324 0.162676 0.750000 Al\n0.162676 0.837324 0.250000 Al\n",
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{
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{
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"structure_string": "Ti4 Ni4 Ge4\n1.0\n3.749535 0.000000 0.000000\n0.000000 6.261080 0.000000\n0.000000 0.000000 7.167537\nTi Ni Ge\n4 4 4\ndirect\n0.750001 0.473392 0.688370 Ti\n0.250000 0.526608 0.311630 Ti\n0.250000 0.026608 0.188370 Ti\n0.750001 0.973392 0.811631 Ti\n0.750001 0.861526 0.439494 Ni\n0.750001 0.361526 0.060507 Ni\n0.250000 0.138474 0.560507 Ni\n0.250000 0.638474 0.939494 Ni\n0.750001 0.245092 0.379825 Ge\n0.250000 0.754907 0.620175 Ge\n0.750001 0.745092 0.120175 Ge\n0.250000 0.254907 0.879826 Ge\n",
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]
}