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{
"id": "jvasp-93208",
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{
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{
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"structure_string": "Mg6 Cr1 Cu1\n1.0\n6.114006 -0.013840 0.000000\n-3.068990 5.315645 0.000000\n0.000000 0.000000 4.850946\nMg Cr Cu\n6 1 1\ndirect\n0.665446 0.334694 0.250000 Mg\n0.665446 0.830751 0.250000 Mg\n0.324317 0.163732 0.750001 Mg\n0.324316 0.660585 0.750001 Mg\n0.845907 0.172954 0.750001 Mg\n0.842594 0.671297 0.750001 Mg\n0.164826 0.832411 0.250000 Cr\n0.167148 0.333574 0.250000 Cu\n",
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{
"id": "jvasp-25704",
"created_at": "2022-09-04T14:36:38.487051Z",
"updated_at": "2022-09-04T14:36:38.487079Z",
"structure_string": "Nb1 V1 F6\n1.0\n4.703919 0.149454 3.131815\n1.754331 4.367093 3.131816\n0.213705 0.149452 5.647075\nNb V F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Nb\n0.000000 0.000000 0.000000 V\n0.885679 0.248200 0.619769 F\n0.248201 0.619767 0.885680 F\n0.380231 0.114320 0.751799 F\n0.751799 0.380231 0.114322 F\n0.114321 0.751798 0.380233 F\n0.619769 0.885678 0.248203 F\n",
"nsites": 8,
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"density": 3.8809604738142163,
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"volume": 110.32077537922261,
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"formula_full": "Nb1 V1 F6",
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"formula_anonymous": "ABC6",
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{
"id": "jvasp-90616",
"created_at": "2022-09-04T14:36:19.984219Z",
"updated_at": "2022-09-04T14:36:19.984241Z",
"structure_string": "Li1 Pt1 F6\n1.0\n-2.474310 -4.285631 -0.000000\n2.474309 -4.285631 -0.000000\n-0.000000 -2.857087 4.541181\nLi Pt F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pt\n0.904768 0.608071 0.244972 F\n0.608070 0.242189 0.244972 F\n0.242189 0.904769 0.244972 F\n0.095232 0.391930 0.755028 F\n0.391930 0.757811 0.755028 F\n0.757811 0.095232 0.755028 F\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-92890",
"created_at": "2022-09-04T14:36:19.962636Z",
"updated_at": "2022-09-04T14:36:19.962662Z",
"structure_string": "Mg6 Cr1 Bi1\n1.0\n6.367573 0.024961 0.000000\n-3.162170 5.526960 0.000000\n0.000000 0.000000 5.105344\nMg Cr Bi\n6 1 1\ndirect\n0.158912 0.814844 0.250000 Mg\n0.685156 0.341088 0.250000 Mg\n0.665241 0.834759 0.250000 Mg\n0.330510 0.659746 0.749999 Mg\n0.840253 0.169490 0.749999 Mg\n0.829430 0.670569 0.749999 Mg\n0.160668 0.339332 0.250000 Cr\n0.329827 0.170173 0.749999 Bi\n",
"nsites": 8,
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"volume": 180.07698110231678,
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"formula_full": "Mg6 Cr1 Bi1",
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{
"id": "jvasp-100646",
"created_at": "2022-09-04T14:36:34.281473Z",
"updated_at": "2022-09-04T14:36:34.281500Z",
"structure_string": "Nb6 Si1 Sn1\n1.0\n5.241907 0.000000 -0.000000\n0.000000 5.241907 0.000000\n-0.000000 0.000000 5.241907\nNb Si Sn\n6 1 1\ndirect\n0.000000 0.500000 0.757555 Nb\n0.500000 0.242446 0.000000 Nb\n0.757555 0.000000 0.500000 Nb\n0.000000 0.500000 0.242446 Nb\n0.500000 0.757555 0.000000 Nb\n0.242446 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.05554206882089389,
"volume": 144.0349661046574,
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"formula_full": "Nb6 Si1 Sn1",
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{
"id": "jvasp-101099",
"created_at": "2022-09-04T14:36:33.919600Z",
"updated_at": "2022-09-04T14:36:33.919620Z",
"structure_string": "Ti1 Al6 Mo1\n1.0\n3.810622 0.000000 0.000000\n0.000000 3.810622 0.000000\n0.000000 -0.000000 8.489991\nTi Al Mo\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 0.251713 Al\n0.500000 0.000000 0.748287 Al\n0.500000 0.000000 0.251713 Al\n-0.000000 0.500000 0.748287 Al\n0.000000 0.000000 0.000000 Mo\n",
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"formula_full": "Ti1 Al6 Mo1",
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},
{
"id": "jvasp-92900",
"created_at": "2022-09-04T14:36:21.282621Z",
"updated_at": "2022-09-04T14:36:21.282647Z",
"structure_string": "Ba1 Mg6 B1\n1.0\n8.611170 -1.380198 0.000000\n-5.500871 6.767394 0.000000\n0.000000 0.000000 3.964940\nBa Mg B\n1 6 1\ndirect\n0.224617 0.275383 0.250000 Ba\n0.184913 0.858906 0.250000 Mg\n0.641093 0.315086 0.250000 Mg\n0.647519 0.852480 0.250000 Mg\n0.290452 0.703801 0.750000 Mg\n0.796198 0.209547 0.750000 Mg\n0.803481 0.696518 0.750000 Mg\n0.411723 0.088277 0.750000 B\n",
"nsites": 8,
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{
"id": "jvasp-92869",
"created_at": "2022-09-04T14:36:19.676102Z",
"updated_at": "2022-09-04T14:36:19.676138Z",
"structure_string": "Ba1 Mg6 Cr1\n1.0\n7.679479 -0.765627 0.000000\n-4.502792 6.267810 0.000000\n0.000000 0.000000 4.948589\nBa Mg Cr\n1 6 1\ndirect\n0.212371 0.287629 0.250000 Ba\n0.172508 0.812057 0.250000 Mg\n0.687943 0.327492 0.250000 Mg\n0.618860 0.881140 0.250000 Mg\n0.303360 0.685130 0.750000 Mg\n0.814870 0.196640 0.750000 Mg\n0.804703 0.695297 0.750000 Mg\n0.385386 0.114613 0.750000 Cr\n",
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{
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"created_at": "2022-09-04T14:36:21.744871Z",
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"structure_string": "Mg6 Co1 C1\n1.0\n5.976904 -1.254253 0.000000\n-4.074666 7.057528 0.000000\n0.000000 0.000000 3.731524\nMg Co C\n6 1 1\ndirect\n0.785602 0.392707 0.250000 Mg\n0.785601 0.892896 0.250000 Mg\n0.268739 0.063886 0.749999 Mg\n0.268739 0.704854 0.749999 Mg\n0.916107 0.208054 0.749999 Mg\n0.686682 0.593342 0.749999 Mg\n0.288246 0.394123 0.250000 Co\n0.000281 0.750140 0.250000 C\n",
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{
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"created_at": "2022-09-04T14:38:48.804350Z",
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