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{
"id": "jvasp-88059",
"created_at": "2022-09-04T14:36:16.613651Z",
"updated_at": "2022-09-04T14:36:16.613677Z",
"structure_string": "Cu1 Sb2 Xe4 F20\n1.0\n7.404061 -0.000000 3.908302\n3.702031 7.714795 1.954151\n0.100649 -0.000000 8.776770\nCu Sb Xe F\n1 2 4 20\ndirect\n0.500000 0.000000 -0.000000 Cu\n0.750000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.906434 0.880309 0.573349 Xe\n0.213257 0.426651 0.880308 Xe\n0.360092 0.119692 0.426651 Xe\n0.520216 0.573350 0.119692 Xe\n0.883003 0.469069 0.253096 F\n0.304989 0.148138 0.200331 F\n0.151293 0.897544 0.367622 F\n0.161024 0.894884 0.774700 F\n0.494680 0.200331 0.851862 F\n0.768167 0.000000 -0.000000 F\n0.546873 0.799670 0.148138 F\n0.519337 0.500000 0.500000 F\n0.944093 0.225300 0.894883 F\n0.416459 0.102457 0.632378 F\n0.481085 0.367622 0.102457 F\n0.830607 0.105117 0.225300 F\n0.863901 0.253097 0.530931 F\n0.064276 0.774700 0.105116 F\n0.647929 0.746904 0.469068 F\n0.951163 0.632379 0.897543 F\n0.605167 0.530932 0.746903 F\n0.653458 0.851862 0.799669 F\n0.980662 0.500000 0.500000 F\n0.231833 0.000000 -0.000000 F\n",
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{
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"structure_string": "Na1 Cd2 In1\n1.0\n4.476768 0.000000 2.584663\n1.492256 4.220738 2.584663\n-0.000000 -0.000000 5.169327\nNa Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.750001 0.750000 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n0.500001 0.500000 0.499999 In\n",
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{
"id": "jvasp-94760",
"created_at": "2022-09-04T14:36:09.871320Z",
"updated_at": "2022-09-04T14:36:09.871340Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n6.987372 0.211007 0.000000\n-3.310949 6.156745 0.000000\n0.000000 0.000000 5.474645\nRb Ca Mg\n1 1 6\ndirect\n0.367616 0.132384 0.750001 Rb\n0.164869 0.335130 0.250000 Ca\n0.117861 0.793313 0.250000 Mg\n0.706686 0.382139 0.250000 Mg\n0.644050 0.855950 0.250000 Mg\n0.313739 0.629586 0.750001 Mg\n0.870413 0.186261 0.750001 Mg\n0.814763 0.685236 0.750001 Mg\n",
"nsites": 8,
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"elements": [
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"Ca",
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],
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"density": 1.8827946772816673,
"density_atomic": 0.03342510149449524,
"volume": 239.3410832669428,
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"formula_full": "Rb1 Ca1 Mg6",
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"spacegroup": 38
},
{
"id": "jvasp-18870",
"created_at": "2022-09-04T14:36:10.632833Z",
"updated_at": "2022-09-04T14:36:10.632854Z",
"structure_string": "K2 Hg7\n1.0\n3.544976 -6.140078 0.000000\n3.544976 6.140078 0.000000\n0.000000 0.000000 6.315499\nK Hg\n2 7\ndirect\n0.333334 0.666668 0.168108 K\n0.666668 0.333334 0.831892 K\n0.183016 0.816985 0.671855 Hg\n0.633969 0.816985 0.671855 Hg\n0.183016 0.366032 0.671855 Hg\n0.816985 0.183016 0.328145 Hg\n0.816985 0.633969 0.328145 Hg\n0.366032 0.183016 0.328145 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 9,
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"elements": [
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{
"id": "jvasp-102203",
"created_at": "2022-09-04T14:36:33.259828Z",
"updated_at": "2022-09-04T14:36:33.259846Z",
"structure_string": "K1 Zn1 Cu1 Te2\n1.0\n4.113090 -0.004160 -6.916930\n-0.314299 4.101066 -6.916930\n0.003858 0.004160 8.047447\nK Zn Cu Te\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500001 Zn\n0.250000 0.750001 0.500001 Cu\n0.637885 0.637885 0.000001 Te\n0.362115 0.362116 0.000000 Te\n",
"nsites": 5,
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{
"id": "jvasp-99720",
"created_at": "2022-09-04T14:36:21.137715Z",
"updated_at": "2022-09-04T14:36:21.137726Z",
"structure_string": "Na2 Li1 Sm1 Cl6\n1.0\n6.283642 0.000000 3.627863\n2.094547 5.924275 3.627863\n-0.000000 -0.000000 7.255725\nNa Li Sm Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sm\n0.741008 0.258991 0.258991 Cl\n0.258991 0.258991 0.741008 Cl\n0.258992 0.741008 0.741008 Cl\n0.258992 0.741008 0.258991 Cl\n0.741008 0.258991 0.741008 Cl\n0.741009 0.741008 0.258991 Cl\n",
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"volume": 270.10178725211216,
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"formula_full": "Na2 Li1 Sm1 Cl6",
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{
"id": "jvasp-99705",
"created_at": "2022-09-04T14:36:16.610388Z",
"updated_at": "2022-09-04T14:36:16.610415Z",
"structure_string": "K2 Al1 Au1 Cl6\n1.0\n6.155231 -0.000000 3.553724\n2.051744 5.803208 3.553724\n0.000000 0.000000 7.107449\nK Al Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.767129 0.232871 0.232870 Cl\n0.232870 0.232871 0.767129 Cl\n0.232870 0.767130 0.767129 Cl\n0.232870 0.767130 0.232870 Cl\n0.767129 0.232871 0.767129 Cl\n0.767129 0.767130 0.232870 Cl\n",
"nsites": 10,
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],
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"density_atomic": 0.03938889112819626,
"volume": 253.87868796442382,
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"formula_full": "K2 Al1 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-79081",
"created_at": "2022-09-04T14:36:37.968381Z",
"updated_at": "2022-09-04T14:36:37.968399Z",
"structure_string": "Ho1 Mg1 Hg2\n1.0\n-0.000000 3.557251 3.557251\n3.557251 0.000000 3.557251\n3.557251 3.557251 0.000000\nHo Mg Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ho\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-94749",
"created_at": "2022-09-04T14:36:20.099034Z",
"updated_at": "2022-09-04T14:36:20.099047Z",
"structure_string": "Ba1 Mg6 Al1\n1.0\n6.689723 0.763047 0.000000\n-2.684044 6.174993 0.000000\n0.000000 0.000000 4.978525\nBa Mg Al\n1 6 1\ndirect\n0.382875 0.117126 0.749999 Ba\n0.099881 0.787805 0.250000 Mg\n0.712194 0.400119 0.250000 Mg\n0.631621 0.868379 0.250000 Mg\n0.290115 0.593189 0.749999 Mg\n0.906811 0.209886 0.749999 Mg\n0.807395 0.692605 0.749999 Mg\n0.169107 0.330893 0.250000 Al\n",
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"volume": 215.85412956613686,
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{
"id": "jvasp-63220",
"created_at": "2022-09-04T14:36:16.143263Z",
"updated_at": "2022-09-04T14:36:16.143283Z",
"structure_string": "Yb1 Cu4 Au1\n1.0\n0.000000 3.535313 3.535313\n3.535313 0.000000 3.535313\n3.535313 3.535313 -0.000000\nYb Cu Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.624788 0.125635 0.624788 Cu\n0.125635 0.624788 0.624788 Cu\n0.624788 0.624788 0.624788 Cu\n0.624788 0.624788 0.125635 Cu\n0.250000 0.250000 0.250000 Au\n",
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},
{
"id": "jvasp-105612",
"created_at": "2022-09-04T14:36:20.517084Z",
"updated_at": "2022-09-04T14:36:20.517111Z",
"structure_string": "K2 Rb1 Sc1 F6\n1.0\n5.653794 0.000000 3.264219\n1.884598 5.330447 3.264219\n-0.000000 0.000000 6.528438\nK Rb Sc F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.781204 0.218795 0.218796 F\n0.218795 0.218795 0.781205 F\n0.218795 0.781205 0.781205 F\n0.218795 0.781205 0.218795 F\n0.781204 0.218795 0.781205 F\n0.781204 0.781205 0.218796 F\n",
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{
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}