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{
"id": "jvasp-92867",
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"structure_string": "Mg6 Nb1 C1\n1.0\n6.130231 0.964679 0.000000\n-2.229680 5.791274 0.000000\n0.000000 0.000000 4.418436\nMg Nb C\n6 1 1\ndirect\n0.209415 0.902049 0.250000 Mg\n0.597950 0.290585 0.250000 Mg\n0.701185 0.798814 0.250000 Mg\n0.424255 0.614605 0.750001 Mg\n0.885395 0.075745 0.750001 Mg\n0.913606 0.586394 0.750001 Mg\n0.128364 0.371635 0.250000 Nb\n0.139831 0.360169 0.750001 C\n",
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{
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"structure_string": "Mg6 Cr1 Cd1\n1.0\n6.247012 0.004358 0.000000\n-3.119733 5.412250 0.000000\n0.000000 0.000000 4.990264\nMg Cr Cd\n6 1 1\ndirect\n0.167560 0.836255 0.250000 Mg\n0.663745 0.332440 0.250000 Mg\n0.665510 0.834490 0.250000 Mg\n0.331012 0.655698 0.749999 Mg\n0.844302 0.168989 0.749999 Mg\n0.832913 0.667088 0.749999 Mg\n0.164186 0.335814 0.250000 Cr\n0.330773 0.169227 0.749999 Cd\n",
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{
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"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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"volume": 221.13292586979557,
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"formula_full": "Ba1 Mg6 Cr1",
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"spacegroup": 38
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{
"id": "jvasp-9287",
"created_at": "2022-09-04T14:37:34.857676Z",
"updated_at": "2022-09-04T14:37:34.857694Z",
"structure_string": "Mg4 Fe4 O8\n1.0\n2.864468 0.000072 0.008692\n1.429911 7.709655 0.048109\n1.407888 0.748005 7.850262\nMg Fe O\n4 4 8\ndirect\n0.668349 0.671509 0.971901 Mg\n0.315530 0.300287 0.048184 Mg\n0.422795 0.882257 0.252753 Mg\n0.561079 0.089541 0.767325 Mg\n0.934813 0.411875 0.697902 Fe\n0.311248 0.727408 0.630266 Fe\n0.672653 0.244389 0.389816 Fe\n0.049053 0.559917 0.322186 Fe\n0.679023 0.443373 0.178459 O\n0.099144 0.199152 0.581814 O\n0.884757 0.772643 0.438270 O\n0.304859 0.528423 0.841626 O\n0.936537 0.201502 0.904734 O\n0.690066 0.840003 0.760112 O\n0.047338 0.770296 0.115347 O\n0.293831 0.131793 0.259969 O\n",
"nsites": 16,
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"elements": [
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"density": 4.301443253091996,
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"volume": 173.1767248478237,
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"formula_full": "Mg4 Fe4 O8",
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{
"id": "jvasp-92870",
"created_at": "2022-09-04T14:36:21.675917Z",
"updated_at": "2022-09-04T14:36:21.675952Z",
"structure_string": "Hf1 Mg6 Nb1\n1.0\n6.396403 -0.140969 0.000000\n-3.320284 5.468962 0.000000\n0.000000 0.000000 4.948465\nHf Mg Nb\n1 6 1\ndirect\n0.303074 0.196926 0.749999 Hf\n0.181782 0.828366 0.250000 Mg\n0.671634 0.318218 0.250000 Mg\n0.673224 0.826776 0.250000 Mg\n0.315477 0.669906 0.749999 Mg\n0.830093 0.184523 0.749999 Mg\n0.828529 0.671471 0.749999 Mg\n0.196187 0.303813 0.250000 Nb\n",
"nsites": 8,
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"elements": [
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"density": 4.05657717509672,
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"formula_full": "Hf1 Mg6 Nb1",
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{
"id": "jvasp-92871",
"created_at": "2022-09-04T14:35:41.846052Z",
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"structure_string": "Mg6 Nb1 Cd1\n1.0\n6.299423 0.040427 0.000000\n-3.114701 5.394820 0.000000\n0.000000 0.000000 4.911869\nMg Nb Cd\n6 1 1\ndirect\n0.661132 0.328275 0.250000 Mg\n0.661132 0.832857 0.250000 Mg\n0.330050 0.176847 0.750000 Mg\n0.330050 0.653205 0.750000 Mg\n0.848333 0.174168 0.750000 Mg\n0.842905 0.671454 0.750000 Mg\n0.158856 0.329427 0.250000 Nb\n0.167542 0.833771 0.250000 Cd\n",
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{
"id": "jvasp-92873",
"created_at": "2022-09-04T14:35:43.799390Z",
"updated_at": "2022-09-04T14:35:43.799415Z",
"structure_string": "Ba1 Mg6 Sb1\n1.0\n7.715098 -0.631171 0.000000\n-4.404159 6.365885 0.000000\n0.000000 0.000000 4.903498\nBa Mg Sb\n1 6 1\ndirect\n0.206702 0.293298 0.250000 Ba\n0.158176 0.787062 0.250000 Mg\n0.712937 0.341823 0.250000 Mg\n0.628746 0.871253 0.250000 Mg\n0.303984 0.676558 0.750000 Mg\n0.823442 0.196016 0.750000 Mg\n0.780632 0.719367 0.750000 Mg\n0.385381 0.114619 0.750000 Sb\n",
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"volume": 227.1969561434229,
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"formula_full": "Ba1 Mg6 Sb1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-92874",
"created_at": "2022-09-04T14:35:46.101397Z",
"updated_at": "2022-09-04T14:35:46.101413Z",
"structure_string": "Mg6 Cr1 W1\n1.0\n6.186779 -0.173269 0.000000\n-3.243445 5.271272 0.000000\n0.000000 0.000000 4.639695\nMg Cr W\n6 1 1\ndirect\n0.182157 0.840664 0.250000 Mg\n0.659336 0.317843 0.250000 Mg\n0.671162 0.828838 0.250000 Mg\n0.317025 0.662950 0.750001 Mg\n0.837050 0.182975 0.750001 Mg\n0.829908 0.670092 0.750001 Mg\n0.196341 0.303659 0.250000 Cr\n0.307022 0.192977 0.750001 W\n",
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"formula_full": "Mg6 Cr1 W1",
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{
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"created_at": "2022-09-04T14:35:47.356740Z",
"updated_at": "2022-09-04T14:35:47.356768Z",
"structure_string": "Mg6 Cr1 Sb1\n1.0\n6.267605 0.009602 0.000000\n-3.125488 5.413502 0.000000\n0.000000 0.000000 5.097648\nMg Cr Sb\n6 1 1\ndirect\n0.667842 0.331536 0.250000 Mg\n0.667842 0.836304 0.250000 Mg\n0.334093 0.177987 0.750000 Mg\n0.334092 0.656105 0.750000 Mg\n0.841710 0.170855 0.750000 Mg\n0.824371 0.662186 0.750000 Mg\n0.166841 0.333420 0.250000 Cr\n0.163208 0.831603 0.250000 Sb\n",
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{
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"structure_string": "Mg6 Cr1 Mo1\n1.0\n6.098911 0.245862 0.000000\n-2.836533 4.913018 0.000000\n0.000000 0.000000 4.836114\nMg Cr Mo\n6 1 1\ndirect\n0.650211 0.324970 0.250000 Mg\n0.650212 0.825242 0.250000 Mg\n0.329247 0.163395 0.749999 Mg\n0.329247 0.665853 0.749999 Mg\n0.874038 0.187020 0.749999 Mg\n0.862721 0.681361 0.749999 Mg\n0.156773 0.328386 0.250000 Cr\n0.147551 0.823775 0.250000 Mo\n",
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{
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"structure_string": "Mg6 Cr1 Cd1\n1.0\n6.254694 -0.003608 0.000000\n-3.130471 5.422135 0.000000\n0.000000 0.000000 4.968449\nMg Cr Cd\n6 1 1\ndirect\n0.667084 0.331221 0.250000 Mg\n0.667084 0.835861 0.250000 Mg\n0.328051 0.170793 0.750000 Mg\n0.328051 0.657257 0.750000 Mg\n0.842437 0.171219 0.750000 Mg\n0.834104 0.667051 0.750000 Mg\n0.164593 0.332296 0.250000 Cr\n0.168592 0.834295 0.250000 Cd\n",
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{
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"structure_string": "Mg6 Cr1 Bi1\n1.0\n6.367033 -0.003287 0.000000\n-3.186363 5.518942 0.000000\n0.000000 0.000000 5.124777\nMg Cr Bi\n6 1 1\ndirect\n0.668832 0.331177 0.250000 Mg\n0.668833 0.837654 0.250000 Mg\n0.335316 0.182980 0.750000 Mg\n0.335316 0.652336 0.750000 Mg\n0.842548 0.171275 0.750000 Mg\n0.817654 0.658828 0.750000 Mg\n0.167451 0.333725 0.250000 Cr\n0.164043 0.832021 0.250000 Bi\n",
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