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{
"id": "oqmd-1348447",
"created_at": "2022-09-04T15:46:34.243082Z",
"updated_at": "2022-09-04T15:46:34.243116Z",
"structure_string": "Zr6 Zn4 O16\n1.0\n6.372668 0.000000 0.000000\n-3.186334 5.518892 0.000000\n0.000000 0.000000 9.306548\nO Zn Zr\n16 4 6\ndirect\n0.333333 0.666667 0.130719 O\n0.335450 0.167725 0.143257 O\n0.832275 0.167725 0.143257 O\n0.832275 0.664550 0.143257 O\n0.000000 0.000000 0.359956 O\n0.029453 0.514727 0.377262 O\n0.485273 0.514727 0.377262 O\n0.485273 0.970547 0.377262 O\n0.666667 0.333333 0.630719 O\n0.167725 0.335450 0.643257 O\n0.167725 0.832275 0.643257 O\n0.664550 0.832275 0.643257 O\n0.000000 0.000000 0.859956 O\n0.514727 0.029453 0.877262 O\n0.514727 0.485273 0.877262 O\n0.970547 0.485273 0.877262 O\n0.666667 0.333333 0.041759 Zn\n0.666667 0.333333 0.412362 Zn\n0.333333 0.666667 0.541759 Zn\n0.333333 0.666667 0.912362 Zn\n0.163604 0.327207 0.247639 Zr\n0.163604 0.836396 0.247639 Zr\n0.672793 0.836396 0.247639 Zr\n0.327207 0.163604 0.747639 Zr\n0.836396 0.163604 0.747639 Zr\n0.836396 0.672793 0.747639 Zr\n",
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{
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"updated_at": "2022-09-04T15:17:42.894760Z",
"structure_string": "Zr6 Zn23 Si1\n1.0\n6.182130 -6.182130 0.000000\n-6.182130 0.000000 -6.182130\n6.182130 6.182130 0.000000\nSi Zn Zr\n1 23 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.000000 0.000000 Zn\n0.000000 0.499999 0.000000 Zn\n0.499999 0.499999 0.000000 Zn\n0.376568 0.753135 0.129703 Zn\n0.493250 0.328833 0.164417 Zn\n0.835583 0.328833 0.164417 Zn\n0.835583 0.671167 0.164417 Zn\n0.623432 0.246865 0.376568 Zn\n0.129703 0.753135 0.376568 Zn\n0.623432 0.753135 0.376568 Zn\n0.164417 0.328833 0.493250 Zn\n0.000000 0.000000 0.499999 Zn\n0.000000 0.499999 0.499999 Zn\n0.499999 0.499999 0.499999 Zn\n0.500000 0.000000 0.500000 Zn\n0.835583 0.671167 0.506750 Zn\n0.376568 0.246865 0.623432 Zn\n0.870297 0.246865 0.623432 Zn\n0.376568 0.753135 0.623432 Zn\n0.164417 0.328833 0.835583 Zn\n0.164417 0.671167 0.835583 Zn\n0.506750 0.671167 0.835583 Zn\n0.623432 0.246865 0.870297 Zn\n0.211319 0.000000 0.211319 Zr\n0.788681 0.000000 0.211319 Zr\n0.211319 0.422638 0.211319 Zr\n0.211319 0.000000 0.788681 Zr\n0.788681 0.000000 0.788681 Zr\n0.788681 0.577363 0.788681 Zr\n",
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"elements": [
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{
"id": "oqmd-322357",
"created_at": "2022-09-04T14:50:55.524348Z",
"updated_at": "2022-09-04T14:50:55.524387Z",
"structure_string": "Zr6 Zn2\n1.0\n6.160787 0.000000 0.000000\n-3.080393 5.335398 0.000000\n0.000000 0.000000 5.033611\nZn Zr\n2 6\ndirect\n0.666668 0.333334 0.249999 Zn\n0.333333 0.666666 0.750000 Zn\n0.171386 0.342773 0.249999 Zr\n0.171386 0.828613 0.249999 Zr\n0.657227 0.828613 0.249999 Zr\n0.342774 0.171387 0.750000 Zr\n0.828613 0.171387 0.750000 Zr\n0.828612 0.657226 0.750000 Zr\n",
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{
"id": "oqmd-758434",
"created_at": "2022-09-04T15:23:24.949410Z",
"updated_at": "2022-09-04T15:23:24.949425Z",
"structure_string": "Zr6 Zn2\n1.0\n5.846593 -3.378900 0.000000\n-0.444082 5.988348 0.000000\n0.000000 0.000000 4.993218\nZn Zr\n2 6\ndirect\n0.071875 0.644486 0.000000 Zn\n0.761475 0.022164 0.500000 Zn\n0.582792 0.112474 0.000000 Zr\n0.029644 0.113189 0.000000 Zr\n0.527445 0.554122 0.000000 Zr\n0.305907 0.112530 0.500000 Zr\n0.803708 0.553463 0.500000 Zr\n0.250560 0.554177 0.500000 Zr\n",
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{
"id": "oqmd-758443",
"created_at": "2022-09-04T15:22:03.340551Z",
"updated_at": "2022-09-04T15:22:03.340575Z",
"structure_string": "Zr6 Zn2\n1.0\n5.434412 0.000000 0.000000\n0.000000 6.038838 0.000000\n0.000000 0.000000 5.091551\nZn Zr\n2 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333418 0.500000 0.500001 Zn\n0.508208 0.251252 0.000000 Zr\n0.022413 0.500000 0.000000 Zr\n0.508208 0.748747 0.000000 Zr\n0.310920 0.000000 0.500001 Zr\n0.825123 0.248747 0.500001 Zr\n0.825123 0.751254 0.500001 Zr\n",
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{
"id": "oqmd-758431",
"created_at": "2022-09-04T15:22:04.176225Z",
"updated_at": "2022-09-04T15:22:04.176249Z",
"structure_string": "Zr6 Zn2\n1.0\n5.346319 -3.085007 0.000000\n-0.000217 6.169638 0.000000\n0.000000 0.000000 5.053662\nZn Zr\n2 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333376 0.666658 0.500000 Zn\n0.495309 0.504649 0.000000 Zr\n0.009356 0.504670 0.000000 Zr\n0.495319 0.990679 0.000000 Zr\n0.323987 0.161976 0.500000 Zr\n0.838043 0.162006 0.500000 Zr\n0.838017 0.676004 0.500000 Zr\n",
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{
"id": "oqmd-1376108",
"created_at": "2022-09-04T15:49:11.684602Z",
"updated_at": "2022-09-04T15:49:11.684623Z",
"structure_string": "Zr6 Zn1 Te2\n1.0\n7.642505 0.000000 0.000000\n-3.821252 6.618603 0.000000\n0.000000 0.000000 3.904601\nTe Zn Zr\n2 1 6\ndirect\n0.666666 0.333333 0.500000 Te\n0.333333 0.666666 0.500000 Te\n0.000000 0.000000 0.000000 Zn\n0.407582 0.000000 0.000000 Zr\n0.000000 0.407583 0.000000 Zr\n0.592418 0.592418 0.000000 Zr\n0.756448 0.000000 0.500000 Zr\n0.243551 0.243551 0.500000 Zr\n0.000000 0.756448 0.500000 Zr\n",
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{
"id": "oqmd-1376068",
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"updated_at": "2022-09-04T15:49:13.516385Z",
"structure_string": "Zr6 Zn1 Sb2\n1.0\n7.716898 0.000000 0.000000\n-3.858449 6.683030 0.000000\n0.000000 0.000000 3.851790\nSb Zn Zr\n2 1 6\ndirect\n0.666667 0.333334 0.499999 Sb\n0.333333 0.666666 0.499999 Sb\n0.000000 0.000000 0.000000 Zn\n0.596277 0.000000 0.000000 Zr\n0.403722 0.403723 0.000000 Zr\n0.000000 0.596277 0.000000 Zr\n0.244480 0.000000 0.499999 Zr\n0.000000 0.244480 0.499999 Zr\n0.755519 0.755520 0.499999 Zr\n",
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"created_at": "2022-09-04T15:52:12.805395Z",
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"structure_string": "Zr6 Zn1 Ga2\n1.0\n7.611732 0.000000 0.000000\n-3.805866 6.591953 0.000000\n0.000000 0.000000 3.702045\nGa Zn Zr\n2 1 6\ndirect\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Zn\n0.596626 0.000000 0.000000 Zr\n0.403374 0.403374 0.000000 Zr\n0.000000 0.596626 0.000000 Zr\n0.266092 0.000000 0.500000 Zr\n0.000000 0.266092 0.500000 Zr\n0.733908 0.733908 0.500000 Zr\n",
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{
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"structure_string": "Zr6 Zn1 Bi2\n1.0\n7.817558 0.000000 0.000000\n-3.908779 6.770204 0.000000\n0.000000 0.000000 3.898908\nBi Zn Zr\n2 1 6\ndirect\n0.666666 0.333333 0.499999 Bi\n0.333333 0.666667 0.499999 Bi\n0.000000 0.000000 0.000000 Zn\n0.605117 0.000000 0.000000 Zr\n0.394883 0.394883 0.000000 Zr\n0.000000 0.605118 0.000000 Zr\n0.239410 0.000000 0.499999 Zr\n0.000000 0.239409 0.499999 Zr\n0.760590 0.760590 0.499999 Zr\n",
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{
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"formula_full": "Zr6 Zn16 Cu7",
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}
]
}