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{
"id": "jvasp-94763",
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{
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"structure_string": "Ce1 Mg6 Si1\n1.0\n7.161293 0.758143 0.000000\n-2.924076 5.064646 0.000000\n0.000000 0.000000 4.874348\nCe Mg Si\n1 6 1\ndirect\n0.107621 0.303810 0.250000 Ce\n0.622650 0.314858 0.250000 Mg\n0.622650 0.807792 0.250000 Mg\n0.352430 0.177786 0.750000 Mg\n0.352430 0.674646 0.750000 Mg\n0.785182 0.142591 0.750000 Mg\n0.926300 0.713151 0.750000 Mg\n0.230735 0.865367 0.250000 Si\n",
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{
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"structure_string": "Ba1 Na1 Mg6\n1.0\n7.491117 -0.457306 0.000000\n-4.141597 6.258844 0.000000\n0.000000 0.000000 5.262230\nBa Na Mg\n1 1 6\ndirect\n0.300476 0.199524 0.750000 Ba\n0.132040 0.367960 0.250000 Na\n0.180909 0.827884 0.250000 Mg\n0.672115 0.319089 0.250000 Mg\n0.710101 0.789897 0.250000 Mg\n0.337254 0.710217 0.750000 Mg\n0.789782 0.162744 0.750000 Mg\n0.877322 0.622677 0.750000 Mg\n",
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{
"id": "jvasp-93207",
"created_at": "2022-09-04T14:36:19.956876Z",
"updated_at": "2022-09-04T14:36:19.956885Z",
"structure_string": "Li1 Mg6 C1\n1.0\n6.552425 1.162805 0.000000\n-2.269194 6.255968 0.000000\n0.000000 0.000000 3.457553\nLi Mg C\n1 6 1\ndirect\n0.150510 0.349490 0.250000 Li\n0.213730 0.964166 0.250000 Mg\n0.535834 0.286271 0.250000 Mg\n0.656678 0.843323 0.250000 Mg\n0.362574 0.586278 0.749999 Mg\n0.913723 0.137426 0.749999 Mg\n0.894425 0.605576 0.749999 Mg\n0.272532 0.227468 0.749999 C\n",
"nsites": 8,
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"elements": [
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"volume": 150.85439016303965,
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"formula_full": "Li1 Mg6 C1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-91644",
"created_at": "2022-09-04T14:36:19.300918Z",
"updated_at": "2022-09-04T14:36:19.300948Z",
"structure_string": "Nd1 Al1 H6\n1.0\n3.225337 1.862150 2.072636\n-3.225337 1.862150 2.072636\n-0.000000 -3.724298 2.072636\nNd Al H\n1 1 6\ndirect\n0.500001 0.500001 0.500001 Nd\n0.000000 0.000000 0.000000 Al\n0.936768 0.295969 0.295970 H\n0.295970 0.295970 0.936768 H\n0.295969 0.936768 0.295970 H\n0.063234 0.704032 0.704032 H\n0.704032 0.704032 0.063234 H\n0.704032 0.063234 0.704032 H\n",
"nsites": 8,
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"formula_full": "Nd1 Al1 H6",
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"spacegroup": 166
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{
"id": "jvasp-94129",
"created_at": "2022-09-04T14:36:13.458508Z",
"updated_at": "2022-09-04T14:36:13.458538Z",
"structure_string": "Mg6 Co1 W1\n1.0\n6.048810 0.218248 0.000000\n-2.835397 4.911050 0.000000\n0.000000 0.000000 4.760156\nMg Co W\n6 1 1\ndirect\n0.648467 0.324753 0.250000 Mg\n0.648467 0.823714 0.250000 Mg\n0.331944 0.162539 0.750001 Mg\n0.331943 0.669406 0.750001 Mg\n0.878875 0.189439 0.750001 Mg\n0.856070 0.678036 0.750001 Mg\n0.159205 0.329602 0.250000 Co\n0.145027 0.822513 0.250000 W\n",
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"formula_full": "Mg6 Co1 W1",
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{
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"created_at": "2022-09-04T14:36:12.903078Z",
"updated_at": "2022-09-04T14:36:12.903106Z",
"structure_string": "Mg1 Cr1 F6\n1.0\n4.452807 0.064665 2.876061\n1.598949 4.156325 2.876062\n0.092713 0.064665 5.300059\nMg Cr F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Cr\n0.237756 0.639073 0.883298 F\n0.639073 0.883298 0.237755 F\n0.116702 0.762244 0.360927 F\n0.360927 0.116703 0.762244 F\n0.762244 0.360928 0.116701 F\n0.883298 0.237757 0.639072 F\n",
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"formula_full": "Mg1 Cr1 F6",
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{
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"created_at": "2022-09-04T14:36:10.945624Z",
"updated_at": "2022-09-04T14:36:10.945645Z",
"structure_string": "Mg6 Mo1 C1\n1.0\n7.179166 1.578486 0.000000\n-2.222574 7.006582 0.000000\n0.000000 0.000000 3.200074\nMg Mo C\n6 1 1\ndirect\n0.233843 0.913207 0.250000 Mg\n0.586793 0.266158 0.250000 Mg\n0.656767 0.843233 0.250000 Mg\n0.385985 0.581976 0.749999 Mg\n0.918025 0.114016 0.749999 Mg\n0.904891 0.595111 0.749999 Mg\n0.207560 0.292440 0.250000 Mo\n0.106142 0.393858 0.749999 C\n",
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{
"id": "jvasp-92929",
"created_at": "2022-09-04T14:36:18.487020Z",
"updated_at": "2022-09-04T14:36:18.487045Z",
"structure_string": "Mg6 Ga1 W1\n1.0\n6.098377 0.152380 0.000000\n-2.917223 5.052778 0.000000\n0.000000 0.000000 4.935738\nMg Ga W\n6 1 1\ndirect\n0.656080 0.327046 0.250000 Mg\n0.656081 0.829032 0.250000 Mg\n0.334029 0.178168 0.750000 Mg\n0.334029 0.655862 0.750000 Mg\n0.855816 0.177908 0.750000 Mg\n0.851084 0.675542 0.750000 Mg\n0.160015 0.830006 0.250000 Ga\n0.152871 0.326436 0.250000 W\n",
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{
"id": "jvasp-93105",
"created_at": "2022-09-04T14:36:11.056365Z",
"updated_at": "2022-09-04T14:36:11.056377Z",
"structure_string": "Ce1 Mg6 Sb1\n1.0\n6.766315 0.274301 0.000000\n-3.145606 5.448349 0.000000\n0.000000 0.000000 5.242465\nCe Mg Sb\n1 6 1\ndirect\n0.144305 0.322152 0.250000 Ce\n0.651847 0.325587 0.250000 Mg\n0.651847 0.826260 0.250000 Mg\n0.360009 0.185855 0.750001 Mg\n0.360008 0.674155 0.750001 Mg\n0.816571 0.158287 0.750001 Mg\n0.853873 0.676937 0.750001 Mg\n0.161536 0.830769 0.250000 Sb\n",
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{
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"structure_string": "Zr1 Al6 Mo1\n1.0\n3.887338 0.000000 0.000000\n0.000000 3.887338 0.000000\n0.000000 0.000000 8.708795\nZr Al Mo\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.242964 Al\n0.500000 0.000000 0.757035 Al\n0.500000 0.000000 0.242964 Al\n0.000000 0.500000 0.757035 Al\n0.000000 0.000000 0.000000 Mo\n",
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{
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