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{
"id": "mp-1112028",
"created_at": "2022-09-04T14:47:01.886552Z",
"structure_string": "K2 Hg1 Sb1 Br6\n1.0\n0.000000 5.764178 5.764178\n5.764178 0.000000 5.764178\n5.764178 5.764178 0.000000\nK Hg Sb 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 Sb\n0.756572 0.243428 0.243428 Br\n0.243428 0.243428 0.756572 Br\n0.243428 0.756572 0.756572 Br\n0.243428 0.756572 0.243428 Br\n0.756572 0.243428 0.756572 Br\n0.756572 0.756572 0.243428 Br\n",
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{
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"structure_string": "K2 Tl1 Hg1 Cl6\n1.0\n0.000000 5.437209 5.437209\n5.437209 0.000000 5.437209\n5.437209 5.437209 0.000000\nK Tl 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 Tl\n0.500000 0.500000 0.500000 Hg\n0.746179 0.253821 0.253821 Cl\n0.253821 0.253821 0.746179 Cl\n0.253821 0.746179 0.746179 Cl\n0.253821 0.746179 0.253821 Cl\n0.746179 0.253821 0.746179 Cl\n0.746179 0.746179 0.253821 Cl\n",
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"formula_full": "K2 Tl1 Hg1 Cl6",
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},
{
"id": "mp-1112026",
"created_at": "2022-09-04T14:44:49.901769Z",
"structure_string": "K2 Tl1 Hg1 Br6\n1.0\n0.000000 5.721573 5.721573\n5.721573 0.000000 5.721573\n5.721573 5.721573 0.000000\nK Tl Hg 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 Tl\n0.500000 0.500000 0.500000 Hg\n0.746134 0.253866 0.253866 Br\n0.253866 0.253866 0.746134 Br\n0.253866 0.746134 0.746134 Br\n0.253866 0.746134 0.253866 Br\n0.746134 0.253866 0.746134 Br\n0.746134 0.746134 0.253866 Br\n",
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"formula_full": "K2 Tl1 Hg1 Br6",
"formula_reduced": "K2TlHgBr6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:40.939000Z",
"spacegroup": 225
},
{
"id": "mp-1112025",
"created_at": "2022-09-04T14:46:12.950820Z",
"structure_string": "K2 Y1 Hg1 Br6\n1.0\n0.000000 5.830419 5.830419\n5.830419 0.000000 5.830419\n5.830419 5.830419 0.000000\nK Y Hg 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 Y\n0.500000 0.500000 0.500000 Hg\n0.760415 0.239585 0.239585 Br\n0.239585 0.239585 0.760415 Br\n0.239585 0.760415 0.760415 Br\n0.239585 0.760415 0.239585 Br\n0.760415 0.239585 0.760415 Br\n0.760415 0.760415 0.239585 Br\n",
"nsites": 10,
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"density": 3.5486479656337084,
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"volume": 396.3960282358709,
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"formula_full": "K2 Y1 Hg1 Br6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:37:30.379000Z",
"spacegroup": 225
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{
"id": "mp-1112024",
"created_at": "2022-09-04T14:46:53.514444Z",
"structure_string": "K2 Tl1 Hg1 I6\n1.0\n0.000000 6.130667 6.130667\n6.130667 0.000000 6.130667\n6.130667 6.130667 0.000000\nK Tl Hg 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 Tl\n0.500000 0.500000 0.500000 Hg\n0.745712 0.254288 0.254288 I\n0.254288 0.254288 0.745712 I\n0.254288 0.745712 0.745712 I\n0.254288 0.745712 0.254288 I\n0.745712 0.254288 0.745712 I\n0.745712 0.745712 0.254288 I\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Hg-I-K-Tl",
"density": 4.4846088790893335,
"density_atomic": 0.021699354898472502,
"volume": 460.8431931174109,
"volume_molar": 27.752625772409115,
"formula_full": "K2 Tl1 Hg1 I6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:37:40.468000Z",
"spacegroup": 225
},
{
"id": "mp-1112023",
"created_at": "2022-09-04T14:40:21.403508Z",
"structure_string": "K2 Al1 In1 I6\n1.0\n0.000000 6.042526 6.042526\n6.042526 0.000000 6.042526\n6.042526 6.042526 0.000000\nK Al In 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 Al\n0.500000 0.500000 0.500000 In\n0.769093 0.230907 0.230907 I\n0.230907 0.230907 0.769093 I\n0.230907 0.769093 0.769093 I\n0.230907 0.769093 0.230907 I\n0.769093 0.230907 0.769093 I\n0.769093 0.769093 0.230907 I\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Al-I-In-K",
"density": 3.6933437601422794,
"density_atomic": 0.02266284460887156,
"volume": 441.2508743975333,
"volume_molar": 26.572748760950258,
"formula_full": "K2 Al1 In1 I6",
"formula_reduced": "K2AlInI6",
"formula_anonymous": "ABC2D6",
"energy": -28.79283029,
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"updated_at": "2021-11-28T01:34:52.171000Z",
"spacegroup": 225
},
{
"id": "mp-1112022",
"created_at": "2022-09-04T14:48:27.958537Z",
"structure_string": "K2 Y1 Hg1 I6\n1.0\n0.000000 6.224100 6.224100\n6.224100 0.000000 6.224100\n6.224100 6.224100 0.000000\nK Y Hg 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 Y\n0.500000 0.500000 0.500000 Hg\n0.757192 0.242808 0.242808 I\n0.242808 0.242808 0.757192 I\n0.242808 0.757192 0.757192 I\n0.242808 0.757192 0.242808 I\n0.757192 0.242808 0.757192 I\n0.757192 0.757192 0.242808 I\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Hg-I-K-Y",
"density": 3.8880266771588676,
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"volume": 482.236058127042,
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"formula_full": "K2 Y1 Hg1 I6",
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"updated_at": "2021-11-28T01:39:22.511000Z",
"spacegroup": 225
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{
"id": "mp-1112021",
"created_at": "2022-09-04T14:46:19.757889Z",
"structure_string": "K2 In1 Ga1 I6\n1.0\n0.000000 6.050386 6.050386\n6.050386 0.000000 6.050386\n6.050386 6.050386 0.000000\nK In Ga 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 In\n0.000000 0.000000 0.000000 Ga\n0.745146 0.254854 0.254854 I\n0.254854 0.254854 0.745146 I\n0.254854 0.745146 0.745146 I\n0.254854 0.745146 0.254854 I\n0.745146 0.254854 0.745146 I\n0.745146 0.745146 0.254854 I\n",
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{
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"structure_string": "K2 In1 As1 I6\n1.0\n0.000000 6.061216 6.061216\n6.061216 0.000000 6.061216\n6.061216 6.061216 0.000000\nK In 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 In\n0.000000 0.000000 0.000000 As\n0.760958 0.239042 0.239042 I\n0.239042 0.239042 0.760958 I\n0.239042 0.760958 0.760958 I\n0.239042 0.760958 0.239042 I\n0.760958 0.239042 0.760958 I\n0.760958 0.760958 0.239042 I\n",
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{
"id": "mp-1112018",
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"structure_string": "K2 In1 Sb1 I6\n1.0\n0.000000 6.239917 6.239917\n6.239917 0.000000 6.239917\n6.239917 6.239917 0.000000\nK In 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 In\n0.000000 0.000000 0.000000 Sb\n0.756446 0.243554 0.243554 I\n0.243554 0.243554 0.756446 I\n0.243554 0.756446 0.756446 I\n0.243554 0.756446 0.243554 I\n0.756446 0.243554 0.756446 I\n0.756446 0.756446 0.243554 I\n",
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{
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"structure_string": "K2 In1 Sb1 Cl6\n1.0\n0.000000 5.608170 5.608170\n5.608170 0.000000 5.608170\n5.608170 5.608170 0.000000\nK In 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 In\n0.000000 0.000000 0.000000 Sb\n0.762270 0.237730 0.237730 Cl\n0.237730 0.237730 0.762270 Cl\n0.237730 0.762270 0.762270 Cl\n0.237730 0.762270 0.237730 Cl\n0.762270 0.237730 0.762270 Cl\n0.762270 0.762270 0.237730 Cl\n",
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{
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"structure_string": "K2 Sc1 In1 I6\n1.0\n0.000000 6.202317 6.202317\n6.202317 0.000000 6.202317\n6.202317 6.202317 0.000000\nK Sc In 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 In\n0.766616 0.233384 0.233384 I\n0.233384 0.233384 0.766616 I\n0.233384 0.766616 0.766616 I\n0.233384 0.766616 0.233384 I\n0.766616 0.233384 0.766616 I\n0.766616 0.766616 0.233384 I\n",
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}