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{
"id": "jvasp-100246",
"created_at": "2022-09-04T14:36:50.260912Z",
"updated_at": "2022-09-04T14:36:50.260930Z",
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{
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"structure_string": "Mg6 Si1 Sn2\n1.0\n6.071263 0.006297 -5.410471\n-0.612500 4.460798 -6.771971\n0.002982 -0.006297 8.132246\nMg Si Sn\n6 1 2\ndirect\n0.237010 0.500000 0.737011 Mg\n0.917246 0.160004 0.757243 Mg\n0.597239 0.839996 0.757243 Mg\n0.762989 0.500001 0.262990 Mg\n0.402760 0.160004 0.242757 Mg\n0.082753 0.839996 0.242758 Mg\n0.000000 0.000000 0.000000 Si\n0.666222 0.666223 0.000000 Sn\n0.333778 0.333778 0.000000 Sn\n",
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{
"id": "jvasp-105473",
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"updated_at": "2022-09-04T14:36:56.472110Z",
"structure_string": "K1 Na4 Cl5\n1.0\n4.020851 0.005335 16.349657\n1.985422 3.496480 16.349657\n0.009151 0.005335 16.836818\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.595498 0.595501 0.595499 Na\n0.198477 0.198478 0.198477 Na\n0.801521 0.801525 0.801523 Na\n0.404500 0.404502 0.404501 Na\n0.706194 0.706197 0.706196 Cl\n0.499999 0.500001 0.500000 Cl\n0.103011 0.103011 0.103011 Cl\n0.293804 0.293805 0.293805 Cl\n0.896987 0.896991 0.896989 Cl\n",
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"spacegroup": 166
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{
"id": "jvasp-52224",
"created_at": "2022-09-04T14:36:50.218521Z",
"updated_at": "2022-09-04T14:36:50.218531Z",
"structure_string": "Li1 Cu5 F12\n1.0\n4.659249 -0.011762 0.000000\n0.064966 4.658811 0.000000\n0.000000 0.000000 9.285426\nLi Cu F\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.327109 Cu\n0.000000 0.000000 0.672892 Cu\n0.500001 0.500000 0.162463 Cu\n0.500001 0.500000 0.500000 Cu\n0.500001 0.500000 0.837538 Cu\n0.799478 0.200522 0.169725 F\n0.695380 0.695379 0.667418 F\n0.695380 0.695379 0.332582 F\n0.694966 0.694965 0.000000 F\n0.305035 0.305035 0.000000 F\n0.200523 0.799478 0.830275 F\n0.304621 0.304621 0.332582 F\n0.799478 0.200522 0.830275 F\n0.200523 0.799478 0.169725 F\n0.194103 0.805898 0.500000 F\n0.304621 0.304621 0.667418 F\n0.805898 0.194102 0.500000 F\n",
"nsites": 18,
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"elements": [
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"chemical_system": "Cu-F-Li",
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"volume": 201.56175644513226,
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"formula_full": "Li1 Cu5 F12",
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{
"id": "jvasp-102365",
"created_at": "2022-09-04T14:36:59.545411Z",
"updated_at": "2022-09-04T14:36:59.545442Z",
"structure_string": "K2 Na1 Au1 Br6\n1.0\n6.658800 -0.000000 3.844460\n2.219600 6.277977 3.844460\n-0.000000 -0.000000 7.688920\nK Na Au Br\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 Na\n0.000000 0.000000 0.000000 Au\n0.756801 0.243199 0.243199 Br\n0.243199 0.243199 0.756801 Br\n0.243199 0.756801 0.756801 Br\n0.243199 0.756801 0.243199 Br\n0.756801 0.243199 0.756801 Br\n0.756801 0.756801 0.243199 Br\n",
"nsites": 10,
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"formula_full": "K2 Na1 Au1 Br6",
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{
"id": "jvasp-18755",
"created_at": "2022-09-04T14:36:46.088647Z",
"updated_at": "2022-09-04T14:36:46.088670Z",
"structure_string": "Nd1 Zn5\n1.0\n2.703932 -4.683348 -0.000000\n2.703932 4.683348 -0.000000\n0.000000 -0.000000 4.226473\nNd Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Nd\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 -0.000000 0.500000 Zn\n",
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{
"id": "jvasp-106488",
"created_at": "2022-09-04T14:36:59.543991Z",
"updated_at": "2022-09-04T14:36:59.544014Z",
"structure_string": "Ag3 Au1\n1.0\n3.781628 0.012716 -3.364947\n-0.753276 3.705867 -3.364947\n-0.010356 -0.012716 5.061964\nAg Au\n3 1\ndirect\n0.750000 0.250000 0.499999 Ag\n0.249999 0.750000 0.499999 Ag\n0.500000 0.500001 0.000000 Ag\n0.000000 0.000000 0.000000 Au\n",
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},
{
"id": "jvasp-102413",
"created_at": "2022-09-04T14:36:46.090338Z",
"updated_at": "2022-09-04T14:36:46.090357Z",
"structure_string": "K1 Rb2 Ir1 F6\n1.0\n5.499080 -0.000000 3.174895\n1.833027 5.184582 3.174895\n-0.000000 -0.000000 6.349791\nK Rb Ir F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.773776 0.226225 0.226225 F\n0.226225 0.226225 0.773776 F\n0.226225 0.773775 0.773776 F\n0.226225 0.773775 0.226225 F\n0.773776 0.226225 0.773776 F\n0.773776 0.773775 0.226226 F\n",
"nsites": 10,
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"elements": [
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"density": 4.735203444550971,
"density_atomic": 0.055237852181936206,
"volume": 181.03527934183842,
"volume_molar": 10.90219934722471,
"formula_full": "K1 Rb2 Ir1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-105050",
"created_at": "2022-09-04T14:36:50.208866Z",
"updated_at": "2022-09-04T14:36:50.208888Z",
"structure_string": "Na2 Li1 Tb1 Cl6\n1.0\n6.225001 -0.000000 3.594006\n2.075000 5.868987 3.594006\n-0.000000 -0.000000 7.188012\nTb Na Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.743106 0.256894 0.256894 Cl\n0.256893 0.256894 0.743106 Cl\n0.256893 0.743107 0.743107 Cl\n0.256893 0.743107 0.256894 Cl\n0.743106 0.256894 0.743107 Cl\n0.743106 0.743107 0.256894 Cl\n",
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"formula_full": "Na2 Li1 Tb1 Cl6",
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{
"id": "jvasp-101115",
"created_at": "2022-09-04T14:36:58.816296Z",
"updated_at": "2022-09-04T14:36:58.816327Z",
"structure_string": "Sr5 Zn1 Cd4\n1.0\n3.986586 -0.000000 0.000000\n0.000000 3.986586 0.000000\n-0.000000 -0.000000 20.005657\nSr Zn Cd\n5 1 4\ndirect\n0.500001 0.500001 0.094736 Sr\n0.500001 0.500001 0.297560 Sr\n0.500001 0.500001 0.500000 Sr\n0.500001 0.500001 0.702440 Sr\n0.500001 0.500001 0.905264 Sr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.196536 Cd\n0.000000 0.000000 0.398700 Cd\n0.000000 0.000000 0.601301 Cd\n0.000000 0.000000 0.803464 Cd\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:36:50.192330Z",
"updated_at": "2022-09-04T14:36:50.192345Z",
"structure_string": "Ca2 Tl2 Br6\n1.0\n7.314471 0.040535 0.000000\n-6.101615 4.034034 0.000000\n-0.000000 -0.000000 10.886444\nCa Tl Br\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.256103 0.743895 0.250000 Tl\n0.743895 0.256103 0.750000 Tl\n0.636574 0.363424 0.049260 Br\n0.363424 0.636574 0.950739 Br\n0.363424 0.636574 0.549260 Br\n0.636574 0.363424 0.450740 Br\n0.935046 0.064951 0.250000 Br\n0.064952 0.935046 0.750000 Br\n",
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{
"id": "jvasp-106465",
"created_at": "2022-09-04T14:36:50.185745Z",
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"structure_string": "Rb2 Li1 Ti1 F6\n1.0\n5.059018 -0.000000 2.920825\n1.686339 4.769688 2.920825\n-0.000000 -0.000000 5.841651\nRb Li Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ti\n0.241949 0.241949 0.758052 F\n0.241949 0.758052 0.758052 F\n0.758052 0.758052 0.241949 F\n0.241949 0.758052 0.241949 F\n0.758052 0.241949 0.758052 F\n0.758052 0.241949 0.241949 F\n",
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