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{
"id": "jvasp-2772",
"created_at": "2022-09-04T14:37:03.983909Z",
"updated_at": "2022-09-04T14:37:03.983942Z",
"structure_string": "Ba1 Sn1 F6\n1.0\n4.918562 0.000580 -0.622954\n-0.706901 4.867499 -0.622951\n0.000502 0.000577 4.957854\nBa Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sn\n0.432448 0.840130 0.730432 F\n0.840129 0.730432 0.432448 F\n0.269568 0.567553 0.159871 F\n0.159870 0.269568 0.567552 F\n0.567552 0.159871 0.269568 F\n0.730432 0.432448 0.840129 F\n",
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{
"id": "jvasp-107117",
"created_at": "2022-09-04T14:36:44.610130Z",
"updated_at": "2022-09-04T14:36:44.610152Z",
"structure_string": "K2 In1 Ag1 F6\n1.0\n5.448161 -0.000000 3.145497\n1.816054 5.136575 3.145497\n-0.000000 -0.000000 6.290994\nK In Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750001 0.750000 K\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500000 Ag\n0.234767 0.234767 0.765233 F\n0.234766 0.765234 0.765233 F\n0.765232 0.765234 0.234768 F\n0.234766 0.765234 0.234767 F\n0.765233 0.234767 0.765233 F\n0.765233 0.234767 0.234767 F\n",
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{
"id": "jvasp-105474",
"created_at": "2022-09-04T14:36:59.233697Z",
"updated_at": "2022-09-04T14:36:59.233720Z",
"structure_string": "K2 Br1 Cl1\n1.0\n4.337586 0.000688 6.553259\n1.972849 3.862968 6.553259\n0.001125 0.000688 7.858744\nK Br Cl\n2 1 1\ndirect\n0.254184 0.254185 0.254184 K\n0.745816 0.745817 0.745815 K\n0.500000 0.500001 0.499999 Br\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"volume": 131.63096509260544,
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"formula_full": "K2 Br1 Cl1",
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},
{
"id": "jvasp-107107",
"created_at": "2022-09-04T14:36:59.216320Z",
"updated_at": "2022-09-04T14:36:59.216339Z",
"structure_string": "K2 Li1 Sb1 Cl6\n1.0\n6.291674 -0.000000 3.632500\n2.097225 5.931847 3.632500\n-0.000000 -0.000000 7.264999\nK Li Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.743191 0.256809 0.256809 Cl\n0.256808 0.256809 0.743192 Cl\n0.256808 0.743192 0.743192 Cl\n0.256808 0.743192 0.256809 Cl\n0.743191 0.256809 0.743192 Cl\n0.743190 0.743192 0.256809 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-K-Li-Sb",
"density": 2.5698573194147922,
"density_atomic": 0.03688147560762838,
"volume": 271.1388260704962,
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"formula_full": "K2 Li1 Sb1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-107177",
"created_at": "2022-09-04T14:36:52.218026Z",
"updated_at": "2022-09-04T14:36:52.218047Z",
"structure_string": "Er1 Mg1 Ag2\n1.0\n4.234059 -0.000000 2.444535\n1.411353 3.991909 2.444535\n-0.000000 -0.000000 4.889070\nEr Mg Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Er\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750000 0.750002 Ag\n0.250000 0.250000 0.250001 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.184650533318502,
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{
"id": "jvasp-12129",
"created_at": "2022-09-04T14:37:04.070642Z",
"updated_at": "2022-09-04T14:37:04.070677Z",
"structure_string": "Zn2 Cl4\n1.0\n3.700523 -0.000000 0.000000\n0.000000 3.700523 0.000000\n0.000000 0.000000 10.587052\nZn Cl\n2 4\ndirect\n0.749999 0.250000 0.250000 Zn\n0.250000 0.749999 0.750000 Zn\n0.250000 0.250000 0.379003 Cl\n0.749999 0.749999 0.620997 Cl\n0.749999 0.749999 0.120997 Cl\n0.250000 0.250000 0.879003 Cl\n",
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"volume": 144.97771878451613,
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"formula_full": "Zn2 Cl4",
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"spacegroup": 137
},
{
"id": "jvasp-107606",
"created_at": "2022-09-04T14:37:03.534203Z",
"updated_at": "2022-09-04T14:37:03.534228Z",
"structure_string": "K2 Sc1 Ag1 I6\n1.0\n7.164803 -0.000000 4.136601\n2.388268 6.755041 4.136601\n-0.000000 -0.000000 8.273202\nK Sc Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.754304 0.245694 0.245694 I\n0.245694 0.245695 0.754304 I\n0.245695 0.754305 0.754304 I\n0.245695 0.754306 0.245695 I\n0.754304 0.245694 0.754304 I\n0.754305 0.754306 0.245694 I\n",
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"density_atomic": 0.02497434625412473,
"volume": 400.4108815600494,
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"formula_full": "K2 Sc1 Ag1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-28429",
"created_at": "2022-09-04T14:36:59.209392Z",
"updated_at": "2022-09-04T14:36:59.209407Z",
"structure_string": "Tb2 Ga2 I2\n1.0\n-2.094277 -3.627394 -0.000000\n-2.094277 3.627394 0.000000\n-0.000000 0.000000 -11.453060\nTb Ga I\n2 2 2\ndirect\n0.000000 0.000000 0.824014 Tb\n0.000000 0.000000 0.175986 Tb\n0.666668 0.333334 0.968645 Ga\n0.333334 0.666668 0.031355 Ga\n0.666668 0.333334 0.350869 I\n0.333334 0.666668 0.649131 I\n",
"nsites": 6,
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"volume": 174.01247539184394,
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},
{
"id": "jvasp-4098",
"created_at": "2022-09-04T14:37:03.729089Z",
"updated_at": "2022-09-04T14:37:03.729115Z",
"structure_string": "K4 Cd1 As2\n1.0\n5.531076 0.024987 8.179496\n2.524405 4.921464 8.179496\n0.040693 0.024987 9.873971\nK Cd As\n4 1 2\ndirect\n0.207959 0.207959 0.207959 K\n0.792041 0.792041 0.792040 K\n0.390767 0.390767 0.390766 K\n0.609234 0.609234 0.609233 K\n0.000000 0.000000 0.000000 Cd\n0.909939 0.909939 0.909938 As\n0.090062 0.090062 0.090062 As\n",
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},
{
"id": "jvasp-105070",
"created_at": "2022-09-04T14:36:51.984184Z",
"updated_at": "2022-09-04T14:36:51.984210Z",
"structure_string": "Na2 Al1 Hg1 Br6\n1.0\n6.654774 -0.000000 3.842136\n2.218258 6.274181 3.842136\n-0.000000 -0.000000 7.684271\nNa Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.767789 0.232211 0.232212 Br\n0.232211 0.232211 0.767789 Br\n0.232211 0.767789 0.767789 Br\n0.232211 0.767789 0.232212 Br\n0.767789 0.232211 0.767790 Br\n0.767789 0.767789 0.232212 Br\n",
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{
"id": "jvasp-2343",
"created_at": "2022-09-04T14:36:45.826590Z",
"updated_at": "2022-09-04T14:36:45.826623Z",
"structure_string": "Rb3 Au1 O1\n1.0\n5.499279 0.000000 0.000000\n0.000000 5.499279 0.000000\n0.000000 0.000000 5.499279\nRb Au O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 O\n",
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},
{
"id": "jvasp-2676",
"created_at": "2022-09-04T14:36:51.977787Z",
"updated_at": "2022-09-04T14:36:51.977806Z",
"structure_string": "Mg1 Pd1 F6\n1.0\n4.420844 0.027285 3.069558\n1.620109 4.113375 3.069558\n0.039808 0.027286 5.381865\nMg Pd F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Pd\n0.392889 0.096589 0.757547 F\n0.096589 0.757549 0.392888 F\n0.242452 0.607113 0.903410 F\n0.903411 0.242452 0.607111 F\n0.607111 0.903412 0.242452 F\n0.757547 0.392888 0.096590 F\n",
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