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{
"id": "mp-1112427",
"created_at": "2022-09-04T14:40:21.591291Z",
"structure_string": "K2 Ga1 Au1 Cl6\n1.0\n0.000000 5.114716 5.114716\n5.114716 0.000000 5.114716\n5.114716 5.114716 0.000000\nK Ga Au Cl\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 Ga\n0.500000 0.500000 0.500000 Au\n0.763366 0.236634 0.236634 Cl\n0.236634 0.236634 0.763366 Cl\n0.236634 0.763366 0.763366 Cl\n0.236634 0.763366 0.236634 Cl\n0.763366 0.236634 0.763366 Cl\n0.763366 0.763366 0.236634 Cl\n",
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{
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"structure_string": "K2 La1 Au1 Cl6\n1.0\n0.000000 5.498772 5.498772\n5.498772 0.000000 5.498772\n5.498772 5.498772 0.000000\nK La Au Cl\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 La\n0.500000 0.500000 0.500000 Au\n0.748964 0.251036 0.251036 Cl\n0.251036 0.251036 0.748964 Cl\n0.251036 0.748964 0.748964 Cl\n0.251036 0.748964 0.251036 Cl\n0.748964 0.251036 0.748964 Cl\n0.748964 0.748964 0.251036 Cl\n",
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{
"id": "mp-1112422",
"created_at": "2022-09-04T14:48:08.426855Z",
"structure_string": "K2 Nd1 Au1 Cl6\n1.0\n0.000000 5.463286 5.463286\n5.463286 0.000000 5.463286\n5.463286 5.463286 0.000000\nK Nd Au Cl\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 Nd\n0.500000 0.500000 0.500000 Au\n0.750774 0.249226 0.249226 Cl\n0.249226 0.249226 0.750774 Cl\n0.249226 0.750774 0.750774 Cl\n0.249226 0.750774 0.249226 Cl\n0.750774 0.249226 0.750774 Cl\n0.750774 0.750774 0.249226 Cl\n",
"nsites": 10,
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"elements": [
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"formula_full": "K2 Nd1 Au1 Cl6",
"formula_reduced": "K2NdAuCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:28.452000Z",
"spacegroup": 225
},
{
"id": "mp-1112421",
"created_at": "2022-09-04T14:45:15.089964Z",
"structure_string": "K2 Pr1 Au1 Cl6\n1.0\n0.000000 5.479731 5.479731\n5.479731 0.000000 5.479731\n5.479731 5.479731 0.000000\nK Pr Au Cl\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 Pr\n0.500000 0.500000 0.500000 Au\n0.749934 0.250066 0.250066 Cl\n0.250066 0.250066 0.749934 Cl\n0.250066 0.749934 0.749934 Cl\n0.250066 0.749934 0.250066 Cl\n0.749934 0.250066 0.749934 Cl\n0.749934 0.749934 0.250066 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.172825548127194,
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"volume": 329.0847173135908,
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"formula_full": "K2 Pr1 Au1 Cl6",
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"updated_at": "2021-11-28T01:36:54.534000Z",
"spacegroup": 225
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{
"id": "mp-1112418",
"created_at": "2022-09-04T14:39:17.641831Z",
"structure_string": "K2 Sb1 Au1 Br6\n1.0\n0.000000 5.618338 5.618338\n5.618338 0.000000 5.618338\n5.618338 5.618338 0.000000\nK Sb Au Br\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 Sb\n0.500000 0.500000 0.500000 Au\n0.749211 0.250789 0.250789 Br\n0.250789 0.250789 0.749211 Br\n0.250789 0.749211 0.749211 Br\n0.250789 0.749211 0.250789 Br\n0.749211 0.250789 0.749211 Br\n0.749211 0.749211 0.250789 Br\n",
"nsites": 10,
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"Br"
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"density_atomic": 0.028193332660784567,
"volume": 354.6937894968859,
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:34:23.990000Z",
"spacegroup": 225
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{
"id": "mp-1112417",
"created_at": "2022-09-04T14:41:17.213445Z",
"structure_string": "K2 Ta1 Au1 F6\n1.0\n0.000000 5.095082 5.095082\n5.095082 0.000000 5.095082\n5.095082 5.095082 0.000000\nK Ta Au F\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 Ta\n0.500000 0.500000 0.500000 Au\n0.811132 0.188868 0.188868 F\n0.188868 0.188868 0.811132 F\n0.188868 0.811132 0.811132 F\n0.188868 0.811132 0.188868 F\n0.811132 0.188868 0.811132 F\n0.811132 0.811132 0.188868 F\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Au-F-K-Ta",
"density": 3.578637656512592,
"density_atomic": 0.037802147347641125,
"volume": 264.53523679585373,
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"formula_full": "K2 Ta1 Au1 F6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:17.325000Z",
"spacegroup": 225
},
{
"id": "mp-1112416",
"created_at": "2022-09-04T14:40:15.061582Z",
"structure_string": "Rb2 Tb1 Cu1 Cl6\n1.0\n0.000000 5.220694 5.220694\n5.220694 0.000000 5.220694\n5.220694 5.220694 0.000000\nRb Tb Cu 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 Tb\n0.500000 0.500000 0.500000 Cu\n0.745932 0.254068 0.254068 Cl\n0.254068 0.254068 0.745932 Cl\n0.254068 0.745932 0.745932 Cl\n0.254068 0.745932 0.254068 Cl\n0.745932 0.254068 0.745932 Cl\n0.745932 0.745932 0.254068 Cl\n",
"nsites": 10,
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"elements": [
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"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Rb-Tb",
"density": 3.5366863561841337,
"density_atomic": 0.03513866747817035,
"volume": 284.586773423108,
"volume_molar": 17.138216079881836,
"formula_full": "Rb2 Tb1 Cu1 Cl6",
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"formula_anonymous": "ABC2D6",
"energy": -43.1414797,
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"updated_at": "2021-11-28T01:34:56.977000Z",
"spacegroup": 225
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{
"id": "mp-1112414",
"created_at": "2022-09-04T14:45:28.469254Z",
"structure_string": "K2 Tl1 Au1 Cl6\n1.0\n0.000000 5.321118 5.321118\n5.321118 0.000000 5.321118\n5.321118 5.321118 0.000000\nK Tl Au Cl\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 Tl\n0.500000 0.500000 0.500000 Au\n0.744460 0.255540 0.255540 Cl\n0.255540 0.255540 0.744460 Cl\n0.255540 0.744460 0.744460 Cl\n0.255540 0.744460 0.255540 Cl\n0.744460 0.255540 0.744460 Cl\n0.744460 0.744460 0.255540 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 301.32742839956893,
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"formula_full": "K2 Tl1 Au1 Cl6",
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"spacegroup": 225
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{
"id": "mp-1112413",
"created_at": "2022-09-04T14:39:22.261287Z",
"structure_string": "Rb2 Y1 Cu1 Br6\n1.0\n0.000000 5.500772 5.500772\n5.500772 0.000000 5.500772\n5.500772 5.500772 0.000000\nRb Y Cu Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.245190 0.245190 0.754810 Br\n0.245190 0.754810 0.754810 Br\n0.754810 0.754810 0.245190 Br\n0.245190 0.754810 0.245190 Br\n0.754810 0.245190 0.754810 Br\n0.754810 0.245190 0.245190 Br\n",
"nsites": 10,
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"volume": 332.8901376683923,
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{
"id": "mp-1112412",
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"structure_string": "Rb2 Tm1 Cu1 Cl6\n1.0\n0.000000 5.179004 5.179004\n5.179004 0.000000 5.179004\n5.179004 5.179004 0.000000\nRb Tm Cu 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 Tm\n0.500000 0.500000 0.500000 Cu\n0.748511 0.251489 0.251489 Cl\n0.251489 0.251489 0.748511 Cl\n0.251489 0.748511 0.748511 Cl\n0.251489 0.748511 0.251489 Cl\n0.748511 0.251489 0.748511 Cl\n0.748511 0.748511 0.251489 Cl\n",
"nsites": 10,
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"volume": 277.82334440748116,
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"formula_full": "Rb2 Tm1 Cu1 Cl6",
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"spacegroup": 225
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{
"id": "mp-1112411",
"created_at": "2022-09-04T14:47:00.761560Z",
"structure_string": "Rb2 Al1 Hg1 F6\n1.0\n0.000000 4.448258 4.448258\n4.448258 0.000000 4.448258\n4.448258 4.448258 0.000000\nRb Al Hg F\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 Al\n0.500000 0.500000 0.500000 Hg\n0.792753 0.207247 0.207247 F\n0.207247 0.207247 0.792753 F\n0.207247 0.792753 0.792753 F\n0.207247 0.792753 0.207247 F\n0.792753 0.207247 0.792753 F\n0.792753 0.792753 0.207247 F\n",
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"volume": 176.0353552822864,
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{
"id": "mp-1112409",
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"structure_string": "Rb2 Hg1 Bi1 F6\n1.0\n0.000000 4.844102 4.844102\n4.844102 0.000000 4.844102\n4.844102 4.844102 0.000000\nRb Hg Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.766771 0.233229 0.233229 F\n0.233229 0.233229 0.766771 F\n0.233229 0.766771 0.766771 F\n0.233229 0.766771 0.233229 F\n0.766771 0.233229 0.766771 F\n0.766771 0.766771 0.233229 F\n",
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]
}