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{
"id": "jvasp-92915",
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{
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"structure_string": "Ce1 Mg6 C1\n1.0\n6.722241 1.518685 0.000000\n-2.296442 5.734198 0.000000\n0.000000 0.000000 4.498849\nCe Mg C\n1 6 1\ndirect\n0.125788 0.340437 0.250000 Ce\n0.609448 0.350349 0.250000 Mg\n0.546879 0.865611 0.250000 Mg\n0.269240 0.020110 0.750000 Mg\n0.424222 0.571847 0.750000 Mg\n0.808525 0.108327 0.750000 Mg\n0.883266 0.636796 0.750000 Mg\n0.332634 0.106529 0.250000 C\n",
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{
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"structure_string": "Sr1 Mg6 W1\n1.0\n6.303723 -1.689685 0.000000\n-4.615171 7.993711 0.000000\n0.000000 0.000000 4.332377\nSr Mg W\n1 6 1\ndirect\n0.249944 0.374972 0.250000 Sr\n0.750032 0.375039 0.250000 Mg\n0.750032 0.874992 0.250000 Mg\n0.250038 0.092728 0.750001 Mg\n0.250038 0.657311 0.750001 Mg\n0.685357 0.092680 0.750001 Mg\n0.814578 0.657290 0.750001 Mg\n0.249982 0.874990 0.250000 W\n",
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"elements": [
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"density_atomic": 0.04335469884247594,
"volume": 184.52440481865722,
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"formula_full": "Sr1 Mg6 W1",
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"spacegroup": 123
},
{
"id": "jvasp-93180",
"created_at": "2022-09-04T14:35:42.597853Z",
"updated_at": "2022-09-04T14:35:42.597865Z",
"structure_string": "K1 Mg6 Sb1\n1.0\n7.509646 -0.591489 0.000000\n-4.267067 6.207799 0.000000\n0.000000 0.000000 4.980470\nK Mg Sb\n1 6 1\ndirect\n0.205415 0.294585 0.250000 K\n0.161164 0.797343 0.250000 Mg\n0.702657 0.338836 0.250000 Mg\n0.632149 0.867851 0.250000 Mg\n0.308786 0.679044 0.750000 Mg\n0.820956 0.191214 0.750000 Mg\n0.790167 0.709833 0.750000 Mg\n0.378707 0.121293 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.31895355171082,
"density_atomic": 0.03642803382882367,
"volume": 219.61108407860328,
"volume_molar": 16.5316107597193,
"formula_full": "K1 Mg6 Sb1",
"formula_reduced": "KMg6Sb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
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{
"id": "jvasp-94751",
"created_at": "2022-09-04T14:35:42.577139Z",
"updated_at": "2022-09-04T14:35:42.577166Z",
"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",
"nsites": 8,
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"elements": [
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],
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"density": 2.278521604651162,
"density_atomic": 0.04882957863212841,
"volume": 163.83512256516255,
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"formula_full": "Mg6 Al1 Cr1",
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"spacegroup": 38
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{
"id": "jvasp-94082",
"created_at": "2022-09-04T14:35:46.684223Z",
"updated_at": "2022-09-04T14:35:46.684242Z",
"structure_string": "Sr1 Mg6 V1\n1.0\n6.980569 -1.870481 0.000000\n-5.110169 8.851071 0.000000\n0.000000 0.000000 3.767534\nSr Mg V\n1 6 1\ndirect\n0.250022 0.875010 0.250000 Sr\n0.749960 0.374994 0.250000 Mg\n0.749960 0.874965 0.250000 Mg\n0.249970 0.158870 0.749999 Mg\n0.249970 0.591101 0.749999 Mg\n0.817820 0.158912 0.749999 Mg\n0.682245 0.591123 0.749999 Mg\n0.250052 0.375024 0.250000 V\n",
"nsites": 8,
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"elements": [
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"V"
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"density": 2.4000104604932004,
"density_atomic": 0.0406571949542998,
"volume": 196.76714069901521,
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"formula_full": "Sr1 Mg6 V1",
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{
"id": "jvasp-94118",
"created_at": "2022-09-04T14:35:46.651182Z",
"updated_at": "2022-09-04T14:35:46.651207Z",
"structure_string": "Mg6 Cd1 Co1\n1.0\n6.116719 -0.060554 0.000000\n-3.110801 5.388064 0.000000\n0.000000 0.000000 4.789765\nMg Cd Co\n6 1 1\ndirect\n0.671974 0.333346 0.250000 Mg\n0.671974 0.838625 0.250000 Mg\n0.321418 0.175794 0.749999 Mg\n0.321418 0.645624 0.749999 Mg\n0.849193 0.174598 0.749999 Mg\n0.833335 0.666668 0.749999 Mg\n0.170683 0.835341 0.250000 Cd\n0.160005 0.330003 0.250000 Co\n",
"nsites": 8,
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"elements": [
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"density": 3.355605117472063,
"density_atomic": 0.05096991288178794,
"volume": 156.95533987970538,
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"formula_full": "Mg6 Cd1 Co1",
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"formula_anonymous": "ABC6",
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{
"id": "jvasp-94132",
"created_at": "2022-09-04T14:35:42.628518Z",
"updated_at": "2022-09-04T14:35:42.628533Z",
"structure_string": "Mg6 Nb1 Co1\n1.0\n6.201880 0.261195 0.000000\n-2.874738 4.979192 0.000000\n0.000000 0.000000 4.787436\nMg Nb Co\n6 1 1\ndirect\n0.644527 0.323447 0.250000 Mg\n0.644527 0.821080 0.250000 Mg\n0.332750 0.166261 0.750001 Mg\n0.332750 0.666490 0.750001 Mg\n0.887075 0.193539 0.750001 Mg\n0.846309 0.673156 0.750001 Mg\n0.141422 0.820711 0.250000 Nb\n0.170640 0.335320 0.250000 Co\n",
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"elements": [
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"volume": 151.43243404088287,
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"formula_full": "Mg6 Nb1 Co1",
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"spacegroup": 38
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{
"id": "jvasp-94096",
"created_at": "2022-09-04T14:35:47.148664Z",
"updated_at": "2022-09-04T14:35:47.148685Z",
"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",
"nsites": 8,
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{
"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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{
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"created_at": "2022-09-04T14:35:42.522071Z",
"updated_at": "2022-09-04T14:35:42.522083Z",
"structure_string": "La1 Al1 H6\n1.0\n3.269291 1.887527 2.108359\n-3.269291 1.887527 2.108359\n0.000000 -3.775052 2.108359\nLa Al H\n1 1 6\ndirect\n0.500001 0.500001 0.499999 La\n0.000000 0.000000 0.000000 Al\n0.937766 0.292440 0.292438 H\n0.292440 0.292440 0.937765 H\n0.292440 0.937766 0.292438 H\n0.062235 0.707561 0.707560 H\n0.707562 0.707562 0.062234 H\n0.707561 0.062235 0.707560 H\n",
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"formula_full": "La1 Al1 H6",
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{
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"structure_string": "La1 Mg6 B1\n1.0\n7.370840 0.943031 0.000000\n-2.868731 4.968786 0.000000\n0.000000 0.000000 4.630736\nLa Mg B\n1 6 1\ndirect\n0.104264 0.302132 0.250000 La\n0.606771 0.305667 0.250000 Mg\n0.606771 0.801103 0.250000 Mg\n0.338371 0.157108 0.750001 Mg\n0.338372 0.681265 0.750001 Mg\n0.778586 0.139293 0.750001 Mg\n0.926330 0.713166 0.750001 Mg\n0.300536 0.900268 0.250000 B\n",
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