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{
"id": "mp-11122",
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"structure_string": "Cs2 Dy2 Cd2 Se6\n1.0\n2.152340 -8.192391 0.000000\n2.152340 8.192391 0.000000\n0.000000 0.000000 11.205705\nCs Dy Cd Se\n2 2 2 6\ndirect\n0.744079 0.255921 0.250000 Cs\n0.255921 0.744079 0.750000 Cs\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.539770 0.460230 0.750000 Cd\n0.460230 0.539770 0.250000 Cd\n0.060061 0.939939 0.250000 Se\n0.939939 0.060061 0.750000 Se\n0.616804 0.383196 0.544792 Se\n0.616804 0.383196 0.955208 Se\n0.383196 0.616804 0.044792 Se\n0.383196 0.616804 0.455208 Se\n",
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{
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"structure_string": "K2 In1 Hg1 F6\n1.0\n0.000000 4.623150 4.623150\n4.623150 0.000000 4.623150\n4.623150 4.623150 0.000000\nK In Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.228412 0.228412 0.771588 F\n0.228412 0.771588 0.771588 F\n0.771588 0.771588 0.228412 F\n0.228412 0.771588 0.228412 F\n0.771588 0.228412 0.771588 F\n0.771588 0.228412 0.228412 F\n",
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{
"id": "mp-1112198",
"created_at": "2022-09-04T14:39:06.849763Z",
"structure_string": "K2 Hg1 Rh1 F6\n1.0\n0.000000 4.473637 4.473637\n4.473637 0.000000 4.473637\n4.473637 4.473637 0.000000\nK Hg Rh 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 Hg\n0.000000 0.000000 0.000000 Rh\n0.771155 0.228845 0.228845 F\n0.228845 0.228845 0.771155 F\n0.228845 0.771155 0.771155 F\n0.228845 0.771155 0.228845 F\n0.771155 0.228845 0.771155 F\n0.771155 0.771155 0.228845 F\n",
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"density_atomic": 0.05584544801509274,
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"formula_full": "K2 Hg1 Rh1 F6",
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"formula_anonymous": "ABC2D6",
"energy": -43.12137731,
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"spacegroup": 225
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{
"id": "mp-1112197",
"created_at": "2022-09-04T14:39:21.712326Z",
"structure_string": "K2 Hg1 Sb1 I6\n1.0\n0.000000 6.145764 6.145764\n6.145764 0.000000 6.145764\n6.145764 6.145764 0.000000\nK Hg Sb 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 Hg\n0.000000 0.000000 0.000000 Sb\n0.753602 0.246398 0.246398 I\n0.246398 0.246398 0.753602 I\n0.246398 0.753602 0.753602 I\n0.246398 0.753602 0.246398 I\n0.753602 0.246398 0.753602 I\n0.753602 0.753602 0.246398 I\n",
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{
"id": "mp-1112196",
"created_at": "2022-09-04T14:48:08.306271Z",
"structure_string": "K2 Hg1 Sb1 Cl6\n1.0\n0.000000 5.520333 5.520333\n5.520333 0.000000 5.520333\n5.520333 5.520333 0.000000\nK Hg Sb 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 Hg\n0.000000 0.000000 0.000000 Sb\n0.761136 0.238864 0.238864 Cl\n0.238864 0.238864 0.761136 Cl\n0.238864 0.761136 0.761136 Cl\n0.238864 0.761136 0.238864 Cl\n0.761136 0.238864 0.761136 Cl\n0.761136 0.761136 0.238864 Cl\n",
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"formula_full": "K2 Hg1 Sb1 Cl6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:29.646000Z",
"spacegroup": 225
},
{
"id": "mp-1112195",
"created_at": "2022-09-04T14:39:48.950724Z",
"structure_string": "K2 Hg1 Sb1 F6\n1.0\n0.000000 4.814574 4.814574\n4.814574 0.000000 4.814574\n4.814574 4.814574 0.000000\nK Hg Sb 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 Hg\n0.000000 0.000000 0.000000 Sb\n0.781012 0.218988 0.218988 F\n0.218988 0.218988 0.781012 F\n0.218988 0.781012 0.781012 F\n0.218988 0.781012 0.218988 F\n0.781012 0.218988 0.781012 F\n0.781012 0.781012 0.218988 F\n",
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"density_atomic": 0.04480189725511492,
"volume": 223.20483311358706,
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"formula_full": "K2 Hg1 Sb1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "mp-1112194",
"created_at": "2022-09-04T14:41:19.517255Z",
"structure_string": "K2 Ta1 Hg1 F6\n1.0\n0.000000 4.946274 4.946274\n4.946274 0.000000 4.946274\n4.946274 4.946274 0.000000\nK Ta Hg 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 Hg\n0.798675 0.201325 0.201325 F\n0.201325 0.201325 0.798675 F\n0.201325 0.798675 0.798675 F\n0.201325 0.798675 0.201325 F\n0.798675 0.201325 0.798675 F\n0.798675 0.798675 0.201325 F\n",
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"volume": 242.02738433390047,
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{
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"created_at": "2022-09-04T14:43:48.956844Z",
"structure_string": "K2 Y1 Hg1 Cl6\n1.0\n0.000000 5.554692 5.554692\n5.554692 0.000000 5.554692\n5.554692 5.554692 0.000000\nK Y Hg 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 Y\n0.500000 0.500000 0.500000 Hg\n0.762967 0.237033 0.237033 Cl\n0.237033 0.237033 0.762967 Cl\n0.237033 0.762967 0.762967 Cl\n0.237033 0.762967 0.237033 Cl\n0.762967 0.237033 0.762967 Cl\n0.762967 0.762967 0.237033 Cl\n",
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{
"id": "mp-1112192",
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"structure_string": "K2 Y1 Hg1 F6\n1.0\n0.000000 4.747392 4.747392\n4.747392 0.000000 4.747392\n4.747392 4.747392 0.000000\nK Y Hg 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 Y\n0.500000 0.500000 0.500000 Hg\n0.770513 0.229487 0.229487 F\n0.229487 0.229487 0.770513 F\n0.229487 0.770513 0.770513 F\n0.229487 0.770513 0.229487 F\n0.770513 0.229487 0.770513 F\n0.770513 0.770513 0.229487 F\n",
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{
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{
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"structure_string": "K2 Al1 In1 Cl6\n1.0\n0.000000 5.350880 5.350880\n5.350880 0.000000 5.350880\n5.350880 5.350880 0.000000\nK Al In 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 Al\n0.500000 0.500000 0.500000 In\n0.780500 0.219500 0.219500 Cl\n0.219500 0.219500 0.780500 Cl\n0.219500 0.780500 0.780500 Cl\n0.219500 0.780500 0.219500 Cl\n0.780500 0.219500 0.780500 Cl\n0.780500 0.780500 0.219500 Cl\n",
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{
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