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{
"id": "jvasp-94733",
"created_at": "2022-09-04T14:35:46.498717Z",
"updated_at": "2022-09-04T14:35:46.498738Z",
"structure_string": "Ca1 Mg6 Sn1\n1.0\n6.725296 -0.070992 0.000000\n-3.424129 5.788782 0.000000\n0.000000 0.000000 5.102224\nCa Mg Sn\n1 6 1\ndirect\n0.180054 0.319946 0.250000 Ca\n0.164607 0.815259 0.250000 Mg\n0.684741 0.335394 0.250000 Mg\n0.659833 0.840167 0.250000 Mg\n0.332338 0.681999 0.749999 Mg\n0.818001 0.167662 0.749999 Mg\n0.820587 0.679413 0.749999 Mg\n0.339843 0.160157 0.749999 Sn\n",
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{
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"created_at": "2022-09-04T14:35:42.577139Z",
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"structure_string": "Mg6 Al1 Cr1\n1.0\n6.203951 0.045692 0.000000\n-3.062405 5.304241 0.000000\n0.000000 0.000000 4.957613\nMg Al Cr\n6 1 1\ndirect\n0.665164 0.333635 0.250000 Mg\n0.665164 0.831527 0.250000 Mg\n0.329573 0.160371 0.750000 Mg\n0.329573 0.669203 0.750000 Mg\n0.838370 0.169185 0.750000 Mg\n0.843886 0.671943 0.750000 Mg\n0.164742 0.332370 0.250000 Al\n0.163528 0.831763 0.250000 Cr\n",
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{
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"created_at": "2022-09-04T14:35:45.469848Z",
"updated_at": "2022-09-04T14:35:45.469869Z",
"structure_string": "Mg6 Cr1 Co1\n1.0\n6.041803 0.013875 0.000000\n-3.008886 5.211543 0.000000\n0.000000 0.000000 4.780605\nMg Cr Co\n6 1 1\ndirect\n0.662718 0.331999 0.250000 Mg\n0.662717 0.830717 0.250000 Mg\n0.323006 0.167944 0.749999 Mg\n0.323006 0.655064 0.749999 Mg\n0.856833 0.178417 0.749999 Mg\n0.847308 0.673655 0.749999 Mg\n0.164332 0.832166 0.250000 Cr\n0.160077 0.330038 0.250000 Co\n",
"nsites": 8,
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"elements": [
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"density": 2.8286817050049295,
"density_atomic": 0.0530760746906189,
"volume": 150.72704691581092,
"volume_molar": 11.346243660826715,
"formula_full": "Mg6 Cr1 Co1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-92875",
"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",
"nsites": 8,
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"elements": [
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],
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"density": 3.0655136250858375,
"density_atomic": 0.04621215893518396,
"volume": 173.1146127844969,
"volume_molar": 13.031507072514199,
"formula_full": "Mg6 Cr1 Sb1",
"formula_reduced": "Mg6CrSb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-90637",
"created_at": "2022-09-04T14:35:42.923581Z",
"updated_at": "2022-09-04T14:35:42.923603Z",
"structure_string": "Y1 Mg6 Cu1\n1.0\n6.679825 -0.284874 0.000000\n-3.586621 5.642461 0.000000\n0.000000 0.000000 4.874415\nY Mg Cu\n1 6 1\ndirect\n0.195920 0.304080 0.250000 Y\n0.176335 0.823520 0.250000 Mg\n0.676480 0.323666 0.250000 Mg\n0.655033 0.844967 0.250000 Mg\n0.314115 0.682615 0.749999 Mg\n0.817385 0.185886 0.749999 Mg\n0.810465 0.689536 0.749999 Mg\n0.354265 0.145735 0.749999 Cu\n",
"nsites": 8,
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"elements": [
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"Mg",
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],
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"density": 2.7711200504568447,
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"volume": 178.7395189541012,
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"formula_full": "Y1 Mg6 Cu1",
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"spacegroup": 38
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{
"id": "jvasp-94095",
"created_at": "2022-09-04T14:35:43.691817Z",
"updated_at": "2022-09-04T14:35:43.691834Z",
"structure_string": "Mg6 Ga1 Ni1\n1.0\n6.028132 0.049540 0.000000\n-2.971163 5.245285 0.000000\n0.000000 0.000000 4.808691\nMg Ga Ni\n6 1 1\ndirect\n0.164088 0.844999 0.250000 Mg\n0.655000 0.335912 0.250000 Mg\n0.662624 0.837375 0.250000 Mg\n0.329461 0.638685 0.750000 Mg\n0.861314 0.170539 0.750000 Mg\n0.836026 0.663973 0.750000 Mg\n0.335866 0.164134 0.750000 Ga\n0.155622 0.344378 0.250000 Ni\n",
"nsites": 8,
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"elements": [
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"Ga",
"Ni"
],
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"density": 2.981221998928921,
"density_atomic": 0.05237141058715905,
"volume": 152.755098827938,
"volume_molar": 11.498908836869424,
"formula_full": "Mg6 Ga1 Ni1",
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{
"id": "jvasp-93181",
"created_at": "2022-09-04T14:35:46.113812Z",
"updated_at": "2022-09-04T14:35:46.113836Z",
"structure_string": "K1 Mg6 Cd1\n1.0\n7.438354 -0.602426 0.000000\n-4.240894 6.140590 0.000000\n0.000000 0.000000 5.007753\nK Mg Cd\n1 6 1\ndirect\n0.204405 0.295595 0.250000 K\n0.167085 0.810400 0.250000 Mg\n0.689600 0.332915 0.250000 Mg\n0.633541 0.866458 0.250000 Mg\n0.311207 0.682281 0.750000 Mg\n0.817718 0.188793 0.750000 Mg\n0.799651 0.700348 0.750000 Mg\n0.376791 0.123209 0.750000 Cd\n",
"nsites": 8,
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"elements": [
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"Mg",
"Cd"
],
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"density": 2.286488969565795,
"density_atomic": 0.037047395822001436,
"volume": 215.9396044579473,
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"formula_full": "K1 Mg6 Cd1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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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",
"nsites": 8,
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"density": 2.959460851253736,
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"volume": 227.1969561434229,
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"formula_full": "Ba1 Mg6 Sb1",
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{
"id": "jvasp-94752",
"created_at": "2022-09-04T14:35:46.104507Z",
"updated_at": "2022-09-04T14:35:46.104529Z",
"structure_string": "Mg6 Al1 Sb1\n1.0\n6.355327 -0.119211 0.000000\n-3.280903 5.444268 0.000000\n0.000000 0.000000 5.251183\nMg Al Sb\n6 1 1\ndirect\n0.160567 0.840019 0.250000 Mg\n0.659982 0.339434 0.250000 Mg\n0.666220 0.833781 0.250000 Mg\n0.337809 0.651461 0.750000 Mg\n0.848540 0.162192 0.750000 Mg\n0.833562 0.666439 0.750000 Mg\n0.142659 0.357342 0.250000 Al\n0.350669 0.149331 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-91949",
"created_at": "2022-09-04T14:35:42.896315Z",
"updated_at": "2022-09-04T14:35:42.896335Z",
"structure_string": "Ce1 Mg6 Al1\n1.0\n7.047364 0.547824 0.000000\n-3.049254 5.281462 0.000000\n0.000000 0.000000 4.934197\nCe Mg Al\n1 6 1\ndirect\n0.114484 0.807240 0.250000 Ce\n0.631771 0.309769 0.250000 Mg\n0.631771 0.822000 0.250000 Mg\n0.348880 0.169566 0.750000 Mg\n0.348880 0.679315 0.750000 Mg\n0.912997 0.206499 0.750000 Mg\n0.791834 0.645917 0.750000 Mg\n0.219382 0.359690 0.250000 Al\n",
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"volume": 191.89506452323423,
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{
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"created_at": "2022-09-04T14:35:42.379297Z",
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"structure_string": "Ce1 Mg6 Nb1\n1.0\n6.637730 0.451300 0.000000\n-2.928028 5.071493 0.000000\n0.000000 0.000000 5.185598\nCe Mg Nb\n1 6 1\ndirect\n0.143217 0.321607 0.250000 Ce\n0.648991 0.325766 0.250000 Mg\n0.648991 0.823224 0.250000 Mg\n0.341177 0.163901 0.750000 Mg\n0.341177 0.677276 0.750000 Mg\n0.824386 0.162193 0.750000 Mg\n0.887970 0.693985 0.750000 Mg\n0.164091 0.832045 0.250000 Nb\n",
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{
"id": "jvasp-94096",
"created_at": "2022-09-04T14:35:47.148664Z",
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"structure_string": "Mg6 V1 B1\n1.0\n6.755940 1.466568 0.000000\n-2.107884 6.584098 0.000000\n0.000000 0.000000 3.321742\nMg V B\n6 1 1\ndirect\n0.216645 0.955217 0.250000 Mg\n0.544783 0.283356 0.250000 Mg\n0.660782 0.839219 0.250000 Mg\n0.369060 0.608670 0.750000 Mg\n0.891330 0.130940 0.750000 Mg\n0.908322 0.591678 0.750000 Mg\n0.145119 0.354881 0.250000 V\n0.263959 0.236041 0.750000 B\n",
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