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{
"id": "mp-1111620",
"created_at": "2022-09-04T14:40:04.335363Z",
"structure_string": "Rb2 Sc1 Au1 Cl6\n1.0\n0.000000 5.255468 5.255468\n5.255468 0.000000 5.255468\n5.255468 5.255468 0.000000\nRb Sc Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.761534 0.238466 0.238466 Cl\n0.238466 0.238466 0.761534 Cl\n0.238466 0.761534 0.761534 Cl\n0.238466 0.761534 0.238466 Cl\n0.761534 0.238466 0.761534 Cl\n0.761534 0.761534 0.238466 Cl\n",
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{
"id": "mp-1111618",
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"structure_string": "K2 Na1 Sc1 I6\n1.0\n0.000000 6.015195 6.015195\n6.015195 0.000000 6.015195\n6.015195 6.015195 0.000000\nK Na Sc I\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 Sc\n0.759915 0.240085 0.240085 I\n0.240085 0.240085 0.759915 I\n0.240085 0.759915 0.759915 I\n0.240085 0.759915 0.240085 I\n0.759915 0.240085 0.759915 I\n0.759915 0.759915 0.240085 I\n",
"nsites": 10,
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"formula_full": "K2 Na1 Sc1 I6",
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},
{
"id": "mp-1111617",
"created_at": "2022-09-04T14:48:24.537100Z",
"structure_string": "K2 Rb1 Al1 Br6\n1.0\n0.000000 5.747684 5.747684\n5.747684 0.000000 5.747684\n5.747684 5.747684 0.000000\nK Rb Al 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 Rb\n0.000000 0.000000 0.000000 Al\n0.780827 0.219173 0.219173 Br\n0.219173 0.219173 0.780827 Br\n0.219173 0.780827 0.780827 Br\n0.219173 0.780827 0.219173 Br\n0.780827 0.219173 0.780827 Br\n0.780827 0.780827 0.219173 Br\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.026332455248009496,
"volume": 379.75949852818655,
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"formula_full": "K2 Rb1 Al1 Br6",
"formula_reduced": "K2RbAlBr6",
"formula_anonymous": "ABC2D6",
"energy": -34.25027541,
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"updated_at": "2021-11-28T01:39:28.485000Z",
"spacegroup": 225
},
{
"id": "mp-1111616",
"created_at": "2022-09-04T14:45:24.796355Z",
"structure_string": "K2 Na1 Tl1 Cl6\n1.0\n0.000000 5.342986 5.342986\n5.342986 0.000000 5.342986\n5.342986 5.342986 0.000000\nK Na Tl Cl\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 Tl\n0.755807 0.244193 0.244193 Cl\n0.244193 0.244193 0.755807 Cl\n0.244193 0.755807 0.755807 Cl\n0.244193 0.755807 0.244193 Cl\n0.755807 0.244193 0.755807 Cl\n0.755807 0.755807 0.244193 Cl\n",
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"elements": [
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],
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"volume": 305.05777921776735,
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"formula_full": "K2 Na1 Tl1 Cl6",
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"updated_at": "2021-11-28T01:37:03.444000Z",
"spacegroup": 225
},
{
"id": "mp-1111615",
"created_at": "2022-09-04T14:41:33.971440Z",
"structure_string": "K2 Na1 Tm1 Cl6\n1.0\n0.000000 5.327317 5.327317\n5.327317 0.000000 5.327317\n5.327317 5.327317 0.000000\nK Na Tm Cl\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 Tm\n0.756780 0.243220 0.243220 Cl\n0.243220 0.243220 0.756780 Cl\n0.243220 0.756780 0.756780 Cl\n0.243220 0.756780 0.243220 Cl\n0.756780 0.243220 0.756780 Cl\n0.756780 0.756780 0.243220 Cl\n",
"nsites": 10,
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"chemical_system": "Cl-K-Na-Tm",
"density": 2.65152328246409,
"density_atomic": 0.03307077587864891,
"volume": 302.3817776968511,
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"formula_full": "K2 Na1 Tm1 Cl6",
"formula_reduced": "K2NaTmCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.44084629999999,
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"updated_at": "2021-11-28T01:35:28.454000Z",
"spacegroup": 225
},
{
"id": "mp-1111613",
"created_at": "2022-09-04T14:39:32.854693Z",
"structure_string": "K2 Rb1 Al1 Cl6\n1.0\n0.000000 5.414813 5.414813\n5.414813 0.000000 5.414813\n5.414813 5.414813 0.000000\nK Rb Al Cl\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 Al\n0.783877 0.216123 0.216123 Cl\n0.216123 0.216123 0.783877 Cl\n0.216123 0.783877 0.783877 Cl\n0.216123 0.783877 0.216123 Cl\n0.783877 0.216123 0.783877 Cl\n0.783877 0.783877 0.216123 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
],
"chemical_system": "Al-Cl-K-Rb",
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"density_atomic": 0.031493404814882414,
"volume": 317.52679834967967,
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"formula_full": "K2 Rb1 Al1 Cl6",
"formula_reduced": "K2RbAlCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:34:40.598000Z",
"spacegroup": 225
},
{
"id": "mp-1111611",
"created_at": "2022-09-04T14:42:01.056166Z",
"structure_string": "Rb2 Tl1 Au1 Cl6\n1.0\n0.000000 5.340903 5.340903\n5.340903 0.000000 5.340903\n5.340903 5.340903 0.000000\nRb Tl Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Au\n0.744428 0.255571 0.255571 Cl\n0.255572 0.255572 0.744428 Cl\n0.255572 0.744428 0.744428 Cl\n0.255572 0.744428 0.255572 Cl\n0.744429 0.255571 0.744428 Cl\n0.744429 0.744428 0.255571 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
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"density_atomic": 0.03281904450408494,
"volume": 304.701131647977,
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"formula_full": "Rb2 Tl1 Au1 Cl6",
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"updated_at": "2021-11-28T01:35:36.069000Z",
"spacegroup": 225
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{
"id": "mp-1111610",
"created_at": "2022-09-04T14:40:39.407525Z",
"structure_string": "K2 Rb1 Al1 I6\n1.0\n0.000000 6.224853 6.224853\n6.224853 0.000000 6.224853\n6.224853 6.224853 0.000000\nK Rb Al I\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 Al\n0.777416 0.222584 0.222584 I\n0.222584 0.222584 0.777416 I\n0.222584 0.777416 0.777416 I\n0.222584 0.777416 0.222584 I\n0.777416 0.222584 0.777416 I\n0.777416 0.777416 0.222584 I\n",
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"volume": 482.41110400583995,
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{
"id": "mp-1111609",
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"structure_string": "K2 Rb1 As1 Br6\n1.0\n0.000000 5.888715 5.888715\n5.888715 0.000000 5.888715\n5.888715 5.888715 0.000000\nK Rb As 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 Rb\n0.000000 0.000000 0.000000 As\n0.774140 0.225860 0.225860 Br\n0.225860 0.225860 0.774140 Br\n0.225860 0.774140 0.774140 Br\n0.225860 0.774140 0.225860 Br\n0.774140 0.225860 0.774140 Br\n0.774140 0.774140 0.225860 Br\n",
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{
"id": "mp-1111607",
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"structure_string": "Na3 Sb1 Cl6\n1.0\n0.000000 5.345219 5.345219\n5.345219 0.000000 5.345219\n5.345219 5.345219 0.000000\nNa Sb Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.752941 0.247059 0.247059 Cl\n0.247059 0.247059 0.752941 Cl\n0.247059 0.752941 0.752941 Cl\n0.247059 0.752941 0.247059 Cl\n0.752941 0.247059 0.752941 Cl\n0.752941 0.752941 0.247059 Cl\n",
"nsites": 10,
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"formula_full": "Na3 Sb1 Cl6",
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{
"id": "mp-1111606",
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"structure_string": "K2 Rb1 As1 I6\n1.0\n0.000000 6.320178 6.320178\n6.320178 0.000000 6.320178\n6.320178 6.320178 0.000000\nK Rb As I\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 As\n0.772845 0.227155 0.227155 I\n0.227155 0.227155 0.772845 I\n0.227155 0.772845 0.772845 I\n0.227155 0.772845 0.227155 I\n0.772845 0.227155 0.772845 I\n0.772845 0.772845 0.227155 I\n",
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{
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"structure_string": "K2 Rb1 Au1 Br6\n1.0\n0.000000 5.874157 5.874157\n5.874157 0.000000 5.874157\n5.874157 5.874157 0.000000\nK Rb 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 Rb\n0.000000 0.000000 0.000000 Au\n0.773711 0.226289 0.226289 Br\n0.226289 0.226289 0.773711 Br\n0.226289 0.773711 0.773711 Br\n0.226289 0.773711 0.226289 Br\n0.773711 0.226289 0.773711 Br\n0.773711 0.773711 0.226289 Br\n",
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}
]
}