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{
"id": "jvasp-93092",
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"structure_string": "Mg6 Si1 W1\n1.0\n6.029818 0.216007 0.000000\n-2.827841 4.897963 0.000000\n0.000000 0.000000 5.015868\nMg Si W\n6 1 1\ndirect\n0.653465 0.327324 0.250000 Mg\n0.653465 0.826141 0.250000 Mg\n0.338086 0.160492 0.750000 Mg\n0.338086 0.677594 0.750000 Mg\n0.854935 0.177468 0.750000 Mg\n0.855306 0.677653 0.750000 Mg\n0.156834 0.328416 0.250000 Si\n0.149825 0.824912 0.250000 W\n",
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{
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"structure_string": "Mg6 Si1 B1\n1.0\n6.163209 0.921959 0.000000\n-2.283165 5.798474 0.000000\n0.000000 0.000000 4.011434\nMg Si B\n6 1 1\ndirect\n0.186769 0.941767 0.250000 Mg\n0.558233 0.313231 0.250000 Mg\n0.629606 0.870394 0.250000 Mg\n0.336241 0.600470 0.749999 Mg\n0.899530 0.163759 0.749999 Mg\n0.856011 0.643989 0.749999 Mg\n0.048614 0.451386 0.250000 Si\n0.485002 0.014998 0.749999 B\n",
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"created_at": "2022-09-04T14:35:54.197877Z",
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"structure_string": "Mg6 Ga1 Si1\n1.0\n6.137309 -0.061782 0.000000\n-3.122160 5.284174 0.000000\n0.000000 0.000000 5.097184\nMg Ga Si\n6 1 1\ndirect\n0.159102 0.853602 0.250000 Mg\n0.646397 0.340897 0.250000 Mg\n0.659390 0.840610 0.250000 Mg\n0.338435 0.642011 0.749999 Mg\n0.857989 0.161565 0.749999 Mg\n0.838787 0.661213 0.749999 Mg\n0.360176 0.139824 0.749999 Ga\n0.139723 0.360277 0.250000 Si\n",
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{
"id": "jvasp-93089",
"created_at": "2022-09-04T14:35:52.138925Z",
"updated_at": "2022-09-04T14:35:52.138942Z",
"structure_string": "Mg6 Si1 W1\n1.0\n6.071978 -0.004138 0.000000\n-3.039573 5.256419 0.000000\n0.000000 0.000000 4.779705\nMg Si W\n6 1 1\ndirect\n0.173758 0.843754 0.250000 Mg\n0.656246 0.326243 0.250000 Mg\n0.668927 0.831073 0.250000 Mg\n0.327331 0.669088 0.749999 Mg\n0.830912 0.172669 0.749999 Mg\n0.830055 0.669945 0.749999 Mg\n0.194705 0.305295 0.250000 Si\n0.318070 0.181930 0.749999 W\n",
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"spacegroup": 38
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{
"id": "jvasp-93088",
"created_at": "2022-09-04T14:35:50.492967Z",
"updated_at": "2022-09-04T14:35:50.492984Z",
"structure_string": "Mg6 Si1 C1\n1.0\n7.224316 -0.920649 0.000000\n-4.409462 5.796115 0.000000\n0.000000 0.000000 4.345115\nMg Si C\n6 1 1\ndirect\n0.180363 0.850262 0.250000 Mg\n0.649740 0.319638 0.250000 Mg\n0.683146 0.816856 0.250000 Mg\n0.320231 0.687795 0.750001 Mg\n0.812207 0.179770 0.750001 Mg\n0.816726 0.683276 0.750001 Mg\n0.104166 0.395834 0.250000 Si\n0.433428 0.066572 0.750001 C\n",
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"density": 1.8790688441567212,
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"formula_full": "Mg6 Si1 C1",
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"spacegroup": 38
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{
"id": "jvasp-93086",
"created_at": "2022-09-04T14:35:48.465203Z",
"updated_at": "2022-09-04T14:35:48.465217Z",
"structure_string": "Na1 Sr1 Mg6\n1.0\n7.065786 -0.196899 0.000000\n-3.703413 6.020700 0.000000\n0.000000 0.000000 5.316373\nNa Sr Mg\n1 1 6\ndirect\n0.148281 0.351720 0.250000 Na\n0.315613 0.184387 0.750000 Sr\n0.176309 0.825989 0.250000 Mg\n0.674012 0.323692 0.250000 Mg\n0.689698 0.810303 0.250000 Mg\n0.335421 0.693833 0.750000 Mg\n0.806167 0.164579 0.750000 Mg\n0.854504 0.645497 0.750000 Mg\n",
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{
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"created_at": "2022-09-04T14:35:46.427157Z",
"updated_at": "2022-09-04T14:35:46.427174Z",
"structure_string": "Mg6 Si1 Mo1\n1.0\n6.081900 0.019475 0.000000\n-3.024084 5.276817 0.000000\n0.000000 0.000000 4.761355\nMg Si Mo\n6 1 1\ndirect\n0.172078 0.845196 0.250000 Mg\n0.654805 0.327923 0.250000 Mg\n0.667529 0.832473 0.250000 Mg\n0.328278 0.665594 0.749999 Mg\n0.834408 0.171723 0.749999 Mg\n0.831390 0.668612 0.749999 Mg\n0.190925 0.309076 0.250000 Si\n0.320593 0.179408 0.749999 Mo\n",
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"formula_full": "Mg6 Si1 Mo1",
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{
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"created_at": "2022-09-04T14:35:43.261737Z",
"updated_at": "2022-09-04T14:35:43.261766Z",
"structure_string": "Mg6 Cr1 Si1\n1.0\n6.134066 0.038479 0.000000\n-3.033709 5.254538 0.000000\n0.000000 0.000000 4.918482\nMg Cr Si\n6 1 1\ndirect\n0.665778 0.333839 0.250000 Mg\n0.665778 0.831938 0.250000 Mg\n0.330140 0.162176 0.750000 Mg\n0.330140 0.667966 0.750000 Mg\n0.840726 0.170363 0.750000 Mg\n0.842842 0.671422 0.750000 Mg\n0.163685 0.831842 0.250000 Cr\n0.160915 0.330457 0.250000 Si\n",
"nsites": 8,
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"formula_full": "Mg6 Cr1 Si1",
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{
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"created_at": "2022-09-04T14:35:40.896316Z",
"updated_at": "2022-09-04T14:35:40.896332Z",
"structure_string": "Mg6 Si1 Mo1\n1.0\n6.054066 0.203876 0.000000\n-2.850472 4.937162 0.000000\n0.000000 0.000000 4.993121\nMg Si Mo\n6 1 1\ndirect\n0.654023 0.327703 0.250000 Mg\n0.654023 0.826320 0.250000 Mg\n0.337750 0.160674 0.750000 Mg\n0.337750 0.677077 0.750000 Mg\n0.854326 0.177164 0.750000 Mg\n0.854024 0.677013 0.750000 Mg\n0.158243 0.329121 0.250000 Si\n0.149866 0.824932 0.250000 Mo\n",
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{
"id": "jvasp-9308",
"created_at": "2022-09-04T14:38:11.273294Z",
"updated_at": "2022-09-04T14:38:11.273319Z",
"structure_string": "Ba2 Y1 Ti3 O8\n1.0\n3.990431 0.000000 0.000000\n0.000000 3.990431 0.000000\n0.000000 -0.000000 11.485401\nBa Y Ti O\n2 1 3 8\ndirect\n0.500000 0.500000 0.171181 Ba\n0.500000 0.500000 0.828820 Ba\n0.500000 0.500000 0.499999 Y\n0.000000 0.000000 0.353585 Ti\n0.000000 0.000000 0.000002 Ti\n0.000000 0.000000 0.646413 Ti\n0.000000 0.500000 0.372542 O\n0.500000 0.000000 0.372542 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.182787 O\n0.000000 0.500000 0.627458 O\n0.500000 0.000000 0.627458 O\n0.000000 0.000000 0.817213 O\n0.000000 0.500000 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:20.795319Z",
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"structure_string": "Na1 Mg6 Nb1\n1.0\n6.064886 -1.625038 0.000000\n-4.439766 7.689901 0.000000\n0.000000 0.000000 4.502834\nNa Mg Nb\n1 6 1\ndirect\n0.250047 0.375023 0.250000 Na\n0.749977 0.374963 0.250000 Mg\n0.749977 0.875013 0.250000 Mg\n0.249983 0.108054 0.749999 Mg\n0.249983 0.641930 0.749999 Mg\n0.715994 0.107998 0.749999 Mg\n0.784027 0.642014 0.749999 Mg\n0.250013 0.875006 0.250000 Nb\n",
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{
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"structure_string": "Na1 Mg6 C1\n1.0\n7.711422 0.210190 0.000000\n-3.673682 6.783380 0.000000\n0.000000 0.000000 3.323247\nNa Mg C\n1 6 1\ndirect\n0.138296 0.361704 0.250000 Na\n0.191399 0.967817 0.250000 Mg\n0.532183 0.308601 0.250000 Mg\n0.720183 0.779817 0.250000 Mg\n0.372768 0.778945 0.750001 Mg\n0.721055 0.127232 0.750001 Mg\n0.919878 0.580122 0.750001 Mg\n0.404240 0.095760 0.750001 C\n",
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