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{
"id": "mp-1093817",
"created_at": "2022-09-04T14:48:17.612484Z",
"structure_string": "Cs2 Hg1 Au1\n1.0\n-6.697491 7.474480 9.449568\n6.697491 -7.474480 9.449568\n6.697491 7.474480 -9.449568\nCs Hg Au\n2 1 1\ndirect\n0.775881 0.000000 0.775881 Cs\n0.224119 0.000000 0.224119 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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{
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"spacegroup": 71
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{
"id": "mp-1096026",
"created_at": "2022-09-04T14:46:52.316055Z",
"structure_string": "Ca2 Zn1 Sn1\n1.0\n-6.201203 6.348346 8.962368\n6.201203 -6.348346 8.962368\n6.201203 6.348346 -8.962368\nCa Zn Sn\n2 1 1\ndirect\n0.000000 0.258552 0.258552 Ca\n0.000000 0.741448 0.741448 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"volume": 1411.299868051699,
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"formula_full": "Ca2 Zn1 Sn1",
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"updated_at": "2021-11-28T01:37:44.184000Z",
"spacegroup": 71
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{
"id": "mp-22915",
"created_at": "2022-09-04T14:47:15.647384Z",
"structure_string": "Ag1 I1\n1.0\n3.855000 0.000000 0.000000\n0.000000 3.855000 0.000000\n0.000000 0.000000 3.855000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
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"elements": [
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"density": 6.804927293483764,
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"volume": 57.289251375,
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"formula_full": "Ag1 I1",
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"band_gap": 0.0,
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"total_magnetization": 7.11e-05,
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"updated_at": "2021-11-28T01:38:03.047000Z",
"spacegroup": 221
},
{
"id": "mp-1206995",
"created_at": "2022-09-04T14:48:01.778084Z",
"structure_string": "K2 Ag1\n1.0\n2.996478 -5.190051 0.000000\n2.996478 5.190051 0.000000\n0.000000 0.000000 3.915900\nK Ag\n2 1\ndirect\n0.333333 0.666667 0.500000 K\n0.666667 0.333333 0.500000 K\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ag-K",
"density": 2.536699425771011,
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"volume": 121.79916397671244,
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"formula_full": "K2 Ag1",
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"updated_at": "2021-11-28T01:38:19.124000Z",
"spacegroup": 191
},
{
"id": "mp-1094851",
"created_at": "2022-09-04T14:40:37.786381Z",
"structure_string": "Mg1 Cd3\n1.0\n3.176500 0.000000 0.000000\n0.000000 5.220361 0.000000\n0.000000 0.000000 5.354475\nMg Cd\n1 3\ndirect\n0.000000 0.500000 0.335817 Mg\n0.000000 0.000000 0.002327 Cd\n0.500000 0.000000 0.497970 Cd\n0.500000 0.500000 0.830552 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.761401993328155,
"density_atomic": 0.045049886377462996,
"volume": 88.79045701658131,
"volume_molar": 13.367715757464559,
"formula_full": "Mg1 Cd3",
"formula_reduced": "MgCd3",
"formula_anonymous": "AB3",
"energy": -4.52028347,
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"updated_at": "2021-11-28T01:35:02.485000Z",
"spacegroup": 25
},
{
"id": "mp-1093785",
"created_at": "2022-09-04T14:48:28.700892Z",
"structure_string": "Ba2 Tl1 In1\n1.0\n-6.386570 7.218102 10.204812\n6.386570 -7.218102 10.204812\n6.386570 7.218102 -10.204812\nBa Tl In\n2 1 1\ndirect\n0.000000 0.249844 0.249844 Ba\n0.000000 0.750156 0.750156 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"Tl",
"In"
],
"chemical_system": "Ba-In-Tl",
"density": 0.5240515902515852,
"density_atomic": 0.0021257113933899428,
"volume": 1881.7229904484198,
"volume_molar": 283.300017995213,
"formula_full": "Ba2 Tl1 In1",
"formula_reduced": "Ba2TlIn",
"formula_anonymous": "ABC2",
"energy": -4.52128618,
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"is_stable": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:40.234000Z",
"spacegroup": 71
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{
"id": "mp-1095859",
"created_at": "2022-09-04T14:41:51.930607Z",
"structure_string": "Ba2 Al1 Tl1\n1.0\n-6.341976 7.233343 10.235678\n6.341976 -7.233343 10.235678\n6.341976 7.233343 -10.235678\nBa Al Tl\n2 1 1\ndirect\n0.000000 0.246483 0.246483 Ba\n0.000000 0.753517 0.753517 Ba\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Al",
"Tl"
],
"chemical_system": "Al-Ba-Tl",
"density": 0.44737892621343994,
"density_atomic": 0.0021297063762290057,
"volume": 1878.1931841152,
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"formula_full": "Ba2 Al1 Tl1",
"formula_reduced": "Ba2AlTl",
"formula_anonymous": "ABC2",
"energy": -4.52139518,
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"updated_at": "2021-11-28T01:35:26.120000Z",
"spacegroup": 71
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{
"id": "mp-1096325",
"created_at": "2022-09-04T14:47:07.641958Z",
"structure_string": "Y1 Tl1 Hg2\n1.0\n-6.185151 6.286854 8.887899\n6.185151 -6.286854 8.887899\n6.185151 6.286854 -8.887899\nY Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.250028 0.250028 Hg\n0.000000 0.749972 0.749972 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.8341790374285307,
"density_atomic": 0.0028934581668153,
"volume": 1382.4288340766375,
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"formula_full": "Y1 Tl1 Hg2",
"formula_reduced": "YTlHg2",
"formula_anonymous": "ABC2",
"energy": -4.52189705,
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"updated_at": "2021-11-28T01:37:58.703000Z",
"spacegroup": 71
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{
"id": "mp-1096192",
"created_at": "2022-09-04T14:46:08.528655Z",
"structure_string": "Li1 Mg1 In2\n1.0\n-5.750608 5.890271 8.360420\n5.750608 -5.890271 8.360420\n5.750608 5.890271 -8.360420\nLi Mg In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.245239 0.245239 In\n0.000000 0.754761 0.754761 In\n",
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"elements": [
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"density": 0.38243363847477796,
"density_atomic": 0.003531204457264137,
"volume": 1132.7579720770602,
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"formula_full": "Li1 Mg1 In2",
"formula_reduced": "LiMgIn2",
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{
"id": "mp-1096346",
"created_at": "2022-09-04T14:42:38.171954Z",
"structure_string": "Li2 Mg1 Ag1\n1.0\n-5.583944 5.604012 7.886966\n5.583944 -5.604012 7.886966\n5.583944 5.604012 -7.886966\nLi Mg Ag\n2 1 1\ndirect\n0.271065 0.000000 0.271065 Li\n0.728935 0.000000 0.728935 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ag\n",
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"volume": 987.2111929771029,
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{
"id": "mp-1184574",
"created_at": "2022-09-04T14:45:30.358679Z",
"structure_string": "Hg3 P1\n1.0\n0.000000 3.586310 3.586310\n3.586310 0.000000 3.586310\n3.586310 3.586310 0.000000\nHg P\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 P\n",
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"formula_full": "Hg3 P1",
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"updated_at": "2021-11-28T01:37:02.562000Z",
"spacegroup": 225
}
]
}