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"results": [
{
"id": "jvasp-22977",
"created_at": "2022-09-04T14:37:33.415841Z",
"updated_at": "2022-09-04T14:37:33.415860Z",
"structure_string": "K4 Hg6 Ge4 S16\n1.0\n6.416210 -0.086616 -0.000000\n-0.990436 6.339896 0.000000\n-0.000000 -0.000000 19.368478\nK Hg Ge S\n4 6 4 16\ndirect\n0.049300 0.635212 0.618465 K\n0.635211 0.049300 0.381535 K\n0.549300 0.135211 0.881535 K\n0.135211 0.549301 0.118465 K\n0.486555 0.486556 0.500000 Hg\n0.117254 0.199701 0.743780 Hg\n0.199701 0.117254 0.256220 Hg\n0.617253 0.699701 0.756220 Hg\n0.699700 0.617254 0.243780 Hg\n0.986555 0.986556 0.000000 Hg\n0.554031 0.124109 0.632729 Ge\n0.124109 0.554032 0.367271 Ge\n0.054031 0.624109 0.867271 Ge\n0.624109 0.054031 0.132729 Ge\n0.276028 0.696170 0.272943 S\n0.780846 0.593889 0.367952 S\n0.776028 0.196169 0.227057 S\n0.722643 0.253994 0.534442 S\n0.253994 0.722644 0.465558 S\n0.222643 0.753995 0.965558 S\n0.753994 0.222643 0.034442 S\n0.212011 0.164957 0.621617 S\n0.164957 0.212011 0.378383 S\n0.712010 0.664957 0.878383 S\n0.664957 0.712011 0.121617 S\n0.093889 0.280846 0.867952 S\n0.280846 0.093889 0.132049 S\n0.593889 0.780846 0.632049 S\n0.196169 0.776029 0.772944 S\n0.696169 0.276028 0.727057 S\n",
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],
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{
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"structure_string": "K4 Hg2 C8 N8\n1.0\n7.838969 -0.000000 4.525831\n2.612990 7.390651 4.525831\n-0.000000 -0.000000 9.051662\nK Hg C N\n4 2 8 8\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.125000 0.125000 0.125000 Hg\n0.875000 0.875000 0.875000 Hg\n0.775932 0.775932 0.172206 C\n0.224068 0.827794 0.224068 C\n0.172206 0.775932 0.775931 C\n0.775932 0.172206 0.775931 C\n0.827794 0.224068 0.224068 C\n0.224068 0.224068 0.827794 C\n0.775932 0.775932 0.775931 C\n0.224068 0.224068 0.224068 C\n0.330430 0.723190 0.723190 N\n0.723190 0.330430 0.723189 N\n0.723190 0.723190 0.723189 N\n0.276810 0.669570 0.276810 N\n0.276810 0.276810 0.669570 N\n0.276810 0.276810 0.276810 N\n0.723190 0.723190 0.330429 N\n0.669570 0.276810 0.276810 N\n",
"nsites": 22,
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"elements": [
"K",
"Hg",
"C",
"N"
],
"chemical_system": "C-Hg-K-N",
"density": 2.4246262769594673,
"density_atomic": 0.04195200393468792,
"volume": 524.408799023051,
"volume_molar": 14.354834561360743,
"formula_full": "K4 Hg2 C8 N8",
"formula_reduced": "K2Hg(CN)4",
"formula_anonymous": "AB2C4D4",
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},
{
"id": "jvasp-116525",
"created_at": "2022-09-04T14:38:43.515976Z",
"updated_at": "2022-09-04T14:38:43.516004Z",
"structure_string": "K2 Hg2 Br6 O2\n1.0\n8.180117 -0.085363 0.000000\n-6.977048 4.271114 0.000000\n-0.000000 -0.000000 10.107012\nK Hg Br O\n2 2 6 2\ndirect\n0.758758 0.241243 0.329572 K\n0.241242 0.758757 0.829571 K\n-0.000010 0.000010 0.579827 Hg\n0.000010 -0.000010 0.079827 Hg\n0.844917 0.155084 0.632369 Br\n0.155083 0.844915 0.132369 Br\n0.845001 0.155000 0.026794 Br\n0.154999 0.845000 0.526794 Br\n0.539450 0.460550 0.829571 Br\n0.460550 0.539450 0.329571 Br\n0.346808 0.653192 0.329566 O\n0.653192 0.346808 0.829565 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Br",
"O"
],
"chemical_system": "Br-Hg-K-O",
"density": 4.7400016617779155,
"density_atomic": 0.03457203210222983,
"volume": 347.10137849334063,
"volume_molar": 17.419111327307782,
"formula_full": "K2 Hg2 Br6 O2",
"formula_reduced": "KHgBr3O",
"formula_anonymous": "ABCD3",
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"spacegroup": 63
},
{
"id": "jvasp-106910",
"created_at": "2022-09-04T14:36:54.680316Z",
"updated_at": "2022-09-04T14:36:54.680335Z",
"structure_string": "K2 Hg1 Bi1 F6\n1.0\n5.820836 -0.000000 3.360661\n1.940279 5.487937 3.360661\n-0.000000 -0.000000 6.721322\nK Hg Bi F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Bi\n0.763345 0.236655 0.236655 F\n0.236655 0.236655 0.763344 F\n0.236655 0.763345 0.763344 F\n0.236655 0.763345 0.236655 F\n0.763345 0.236655 0.763344 F\n0.763345 0.763345 0.236654 F\n",
"nsites": 10,
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"elements": [
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"density": 4.6539463092750415,
"density_atomic": 0.04657478059993353,
"volume": 214.70847250785056,
"volume_molar": 12.930046438068663,
"formula_full": "K2 Hg1 Bi1 F6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105018",
"created_at": "2022-09-04T14:36:47.314451Z",
"updated_at": "2022-09-04T14:36:47.314476Z",
"structure_string": "K2 Hg1 Bi1 Cl6\n1.0\n6.740251 -0.000000 3.891485\n2.246750 6.354769 3.891485\n-0.000000 -0.000000 7.782971\nK Hg Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Hg\n0.000000 0.000000 0.000000 Bi\n0.754222 0.245778 0.245778 Cl\n0.245778 0.245778 0.754223 Cl\n0.245778 0.754222 0.754223 Cl\n0.245778 0.754222 0.245778 Cl\n0.754222 0.245778 0.754223 Cl\n0.754222 0.754222 0.245779 Cl\n",
"nsites": 10,
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"elements": [
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"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-K",
"density": 3.489206615966978,
"density_atomic": 0.029997064018983804,
"volume": 333.36595853752374,
"volume_molar": 20.075767269052918,
"formula_full": "K2 Hg1 Bi1 Cl6",
"formula_reduced": "K2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106908",
"created_at": "2022-09-04T14:36:54.236778Z",
"updated_at": "2022-09-04T14:36:54.236797Z",
"structure_string": "K2 Hg1 Bi1 Br6\n1.0\n7.057628 -0.000000 4.074723\n2.352543 6.653996 4.074723\n-0.000000 -0.000000 8.149447\nK Hg Bi 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 Hg\n0.000000 0.000000 0.000000 Bi\n0.752038 0.247962 0.247962 Br\n0.247962 0.247962 0.752038 Br\n0.247962 0.752038 0.752037 Br\n0.247962 0.752038 0.247962 Br\n0.752038 0.247962 0.752037 Br\n0.752037 0.752038 0.247962 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Hg",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Hg-K",
"density": 4.1965452037437565,
"density_atomic": 0.026129467635018635,
"volume": 382.709672454177,
"volume_molar": 23.047315177325487,
"formula_full": "K2 Hg1 Bi1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-108980",
"created_at": "2022-09-04T14:38:27.228665Z",
"updated_at": "2022-09-04T14:38:27.228694Z",
"structure_string": "K2 Hg1 Au1 Br6\n1.0\n6.706395 -0.000000 3.871939\n2.235465 6.322850 3.871939\n-0.000000 -0.000000 7.743878\nK Hg Au Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n0.755230 0.244770 0.244770 Br\n0.244771 0.244770 0.755230 Br\n0.244771 0.755230 0.755229 Br\n0.244771 0.755230 0.244770 Br\n0.755230 0.244770 0.755229 Br\n0.755231 0.755230 0.244770 Br\n",
"nsites": 10,
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"elements": [
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"Au",
"Br"
],
"chemical_system": "Au-Br-Hg-K",
"density": 4.830282375241014,
"density_atomic": 0.030453659622910162,
"volume": 328.3677601911936,
"volume_molar": 19.77476872917293,
"formula_full": "K2 Hg1 Au1 Br6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100898",
"created_at": "2022-09-04T14:37:06.901927Z",
"updated_at": "2022-09-04T14:37:06.901947Z",
"structure_string": "K2 Hg1 As1 I6\n1.0\n7.263559 -0.000000 4.193618\n2.421186 6.848149 4.193618\n-0.000000 -0.000000 8.387235\nK Hg As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.757184 0.242817 0.242817 I\n0.242817 0.242817 0.757184 I\n0.242817 0.757184 0.757184 I\n0.242817 0.757184 0.242817 I\n0.757184 0.242817 0.757184 I\n0.757184 0.757184 0.242817 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.438488214587284,
"density_atomic": 0.02396947483461039,
"volume": 417.1972923478757,
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"formula_full": "K2 Hg1 As1 I6",
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},
{
"id": "jvasp-102874",
"created_at": "2022-09-04T14:36:35.412692Z",
"updated_at": "2022-09-04T14:36:35.412712Z",
"structure_string": "K2 Hg1 As1 Cl6\n1.0\n6.463869 -0.000000 3.731917\n2.154623 6.094194 3.731917\n-0.000000 -0.000000 7.463833\nK Hg As Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.762864 0.237136 0.237137 Cl\n0.237136 0.237136 0.762864 Cl\n0.237136 0.762863 0.762864 Cl\n0.237136 0.762863 0.237137 Cl\n0.762864 0.237136 0.762864 Cl\n0.762864 0.762863 0.237137 Cl\n",
"nsites": 10,
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"density_atomic": 0.03401177244849292,
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{
"id": "jvasp-99592",
"created_at": "2022-09-04T14:36:45.221817Z",
"updated_at": "2022-09-04T14:36:45.221841Z",
"structure_string": "K2 Hg1 As1 Br6\n1.0\n6.778895 -0.000000 3.913797\n2.259632 6.391204 3.913797\n-0.000000 -0.000000 7.827594\nK Hg 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 Hg\n0.000000 0.000000 0.000000 As\n0.759750 0.240250 0.240250 Br\n0.240250 0.240250 0.759750 Br\n0.240250 0.759749 0.759750 Br\n0.240250 0.759749 0.240251 Br\n0.759750 0.240250 0.759750 Br\n0.759750 0.759749 0.240251 Br\n",
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{
"id": "jvasp-22903",
"created_at": "2022-09-04T14:38:29.279037Z",
"updated_at": "2022-09-04T14:38:29.279062Z",
"structure_string": "K4 Hf4 Pd4 F28\n1.0\n6.267455 0.000000 0.000000\n-0.000000 8.917744 0.000000\n0.000000 0.000000 10.636579\nK Hf Pd F\n4 4 4 28\ndirect\n0.266078 0.000000 0.250000 K\n0.233922 0.500000 0.250000 K\n0.733923 0.000000 0.750000 K\n0.766078 0.500000 0.750000 K\n0.750001 0.750000 0.404927 Hf\n0.750001 0.250000 0.095073 Hf\n0.250000 0.250000 0.595073 Hf\n0.250000 0.750000 0.904927 Hf\n0.750001 0.750000 0.089087 Pd\n0.750001 0.250000 0.410913 Pd\n0.250000 0.750000 0.589087 Pd\n0.250000 0.250000 0.910913 Pd\n0.418849 0.677335 0.736898 F\n0.581152 0.677335 0.236898 F\n0.081151 0.177336 0.763102 F\n0.081151 0.822664 0.736898 F\n0.418849 0.322664 0.763102 F\n0.390620 0.053586 0.612680 F\n0.609381 0.946413 0.387320 F\n0.890621 0.553586 0.387320 F\n0.890621 0.446413 0.112680 F\n0.390620 0.946413 0.887320 F\n0.581152 0.322664 0.263102 F\n0.609381 0.053586 0.112680 F\n0.918849 0.177336 0.263102 F\n0.439651 0.664695 0.451502 F\n0.750001 0.750000 0.589983 F\n0.750001 0.250000 0.910018 F\n0.250000 0.250000 0.410018 F\n0.250000 0.750000 0.089982 F\n0.109380 0.446413 0.612680 F\n0.439651 0.335305 0.048498 F\n0.060349 0.164695 0.048498 F\n0.060349 0.835304 0.451502 F\n0.560350 0.335305 0.548498 F\n0.560350 0.664695 0.951502 F\n0.939651 0.835304 0.951502 F\n0.939651 0.164695 0.548498 F\n0.918849 0.822664 0.236898 F\n0.109380 0.553586 0.887320 F\n",
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{
"id": "jvasp-10583",
"created_at": "2022-09-04T14:37:09.186241Z",
"updated_at": "2022-09-04T14:37:09.186267Z",
"structure_string": "K2 Hf2 Cu2 S6\n1.0\n3.723348 0.000000 0.000000\n-1.861674 6.961166 0.000000\n0.000000 -0.000000 9.749922\nK Hf Cu S\n2 2 2 6\ndirect\n0.255333 0.510663 0.250000 K\n0.744669 0.489337 0.750000 K\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.537866 0.075730 0.250000 Cu\n0.462136 0.924270 0.750000 Cu\n0.376628 0.753254 0.549020 S\n0.623374 0.246746 0.450980 S\n0.623374 0.246746 0.049020 S\n0.063447 0.126894 0.750000 S\n0.936555 0.873107 0.250000 S\n0.376628 0.753254 0.950980 S\n",
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"volume": 252.70670249194472,
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"formula_full": "K2 Hf2 Cu2 S6",
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}
]
}