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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",
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{
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"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",
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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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"elements": [
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"density": 2.959460851253736,
"density_atomic": 0.035211739346322185,
"volume": 227.1969561434229,
"volume_molar": 17.102650626740495,
"formula_full": "Ba1 Mg6 Sb1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"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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],
"chemical_system": "Al-Mg-Sb",
"density": 2.722968110732983,
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"volume": 179.63763359024375,
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"formula_full": "Mg6 Al1 Sb1",
"formula_reduced": "Mg6AlSb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"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",
"nsites": 8,
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"density": 2.707877892280883,
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"volume": 191.89506452323423,
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"formula_full": "Ce1 Mg6 Al1",
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"spacegroup": 38
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{
"id": "jvasp-93110",
"created_at": "2022-09-04T14:35:42.379297Z",
"updated_at": "2022-09-04T14:35:42.379318Z",
"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",
"nsites": 8,
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"elements": [
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"density": 3.4677126828107174,
"density_atomic": 0.04409750076975123,
"volume": 181.4161768888185,
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"formula_full": "Ce1 Mg6 Nb1",
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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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"elements": [
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"V",
"B"
],
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"density": 2.1812841607617486,
"density_atomic": 0.05062469238285593,
"volume": 158.02565158320255,
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"formula_full": "Mg6 V1 B1",
"formula_reduced": "Mg6VB",
"formula_anonymous": "ABC6",
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{
"id": "jvasp-22519",
"created_at": "2022-09-04T14:35:44.822393Z",
"updated_at": "2022-09-04T14:35:44.822411Z",
"structure_string": "Cr1 Mo1 F6\n1.0\n4.423798 -0.025901 2.428115\n-1.306582 4.735697 2.430641\n0.111165 0.129927 5.042671\nCr Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500001 0.500001 -0.000001 Mo\n0.244764 0.755609 0.125223 F\n0.755236 0.244393 0.874775 F\n0.370045 0.244367 0.510807 F\n0.629956 0.755634 0.489190 F\n0.880833 0.755667 0.874278 F\n0.119167 0.244335 0.125720 F\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.248382396138839,
"density_atomic": 0.07814208925110039,
"volume": 102.37760567538632,
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"formula_full": "Cr1 Mo1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"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",
"nsites": 8,
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"elements": [
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"density": 4.2619899485402355,
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"formula_full": "Mg6 Cr1 W1",
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"spacegroup": 38
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{
"id": "jvasp-91898",
"created_at": "2022-09-04T14:35:42.604627Z",
"updated_at": "2022-09-04T14:35:42.604655Z",
"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",
"nsites": 8,
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"elements": [
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"density": 3.7552016373253863,
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},
{
"id": "jvasp-93085",
"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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],
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"density_atomic": 0.05225789016885369,
"volume": 153.08693049318882,
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"formula_full": "Mg6 Si1 Mo1",
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{
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"created_at": "2022-09-04T14:35:45.323234Z",
"updated_at": "2022-09-04T14:35:45.323252Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n",
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}