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{
"id": "mp-1095971",
"created_at": "2022-09-04T14:39:48.368982Z",
"structure_string": "Sr2 Mg1 In1\n1.0\n-6.143645 6.902114 9.188986\n6.143645 -6.902114 9.188986\n6.143645 6.902114 -9.188986\nSr Mg In\n2 1 1\ndirect\n0.733437 0.000000 0.733437 Sr\n0.266563 0.000000 0.266563 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n",
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{
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{
"id": "mp-1097189",
"created_at": "2022-09-04T14:42:15.114745Z",
"structure_string": "Sr2 Ag1 Sn1\n1.0\n-6.360781 6.585447 9.305209\n6.360781 -6.585447 9.305209\n6.360781 6.585447 -9.305209\nSr Ag Sn\n2 1 1\ndirect\n0.000000 0.248863 0.248863 Sr\n0.000000 0.751137 0.751137 Sr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n",
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"density": 0.4279537889769045,
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"volume": 1559.1281955138875,
"volume_molar": 234.73223640673578,
"formula_full": "Sr2 Ag1 Sn1",
"formula_reduced": "Sr2AgSn",
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"updated_at": "2021-11-28T01:35:38.346000Z",
"spacegroup": 71
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{
"id": "mp-1207372",
"created_at": "2022-09-04T14:42:49.586351Z",
"structure_string": "Rb1 Er3 O6\n1.0\n5.780732 -7.563063 0.000000\n5.780732 7.563063 0.000000\n0.000000 0.000000 44.586961\nRb Er O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Er\n0.500000 0.000000 0.000000 Er\n0.000000 0.500000 0.000000 Er\n0.000000 0.000000 0.231013 O\n0.000000 0.000000 0.768987 O\n0.301140 0.023500 0.000000 O\n0.698860 0.976500 0.000000 O\n0.023500 0.301140 0.000000 O\n0.976500 0.698860 0.000000 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 0.2910078622775649,
"density_atomic": 0.002564965797595071,
"volume": 3898.687463737749,
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"formula_full": "Rb1 Er3 O6",
"formula_reduced": "RbEr3O6",
"formula_anonymous": "AB3C6",
"energy": -43.42101846,
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"updated_at": "2021-11-28T01:35:50.456000Z",
"spacegroup": 65
},
{
"id": "mp-1097156",
"created_at": "2022-09-04T14:43:01.484187Z",
"structure_string": "Ca1 Tl2 Pb1\n1.0\n-6.233171 6.751380 9.270306\n6.233171 -6.751380 9.270306\n6.233171 6.751380 -9.270306\nCa Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.266097 0.266097 Tl\n0.000000 0.733903 0.733903 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.698114738892654,
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"volume": 1560.470832430714,
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"formula_full": "Ca1 Tl2 Pb1",
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"formula_anonymous": "ABC2",
"energy": -5.9925486,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.752000Z",
"spacegroup": 71
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{
"id": "mp-1096403",
"created_at": "2022-09-04T14:41:05.401929Z",
"structure_string": "Ca2 Mg1 Hg1\n1.0\n-6.281515 6.990040 8.888740\n6.281515 -6.990040 8.888740\n6.281515 6.990040 -8.888740\nCa Mg Hg\n2 1 1\ndirect\n0.741281 0.000000 0.741281 Ca\n0.258719 0.000000 0.258719 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
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"elements": [
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"Mg",
"Hg"
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"density": 0.32447205095369036,
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"volume": 1561.1486453657385,
"volume_molar": 235.036422241895,
"formula_full": "Ca2 Mg1 Hg1",
"formula_reduced": "Ca2MgHg",
"formula_anonymous": "ABC2",
"energy": -1.32382565,
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"energy_uncorrected": -1.32382565,
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"total_magnetization": 8.6e-06,
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"updated_at": "2021-11-28T01:35:16.725000Z",
"spacegroup": 71
},
{
"id": "mp-1095997",
"created_at": "2022-09-04T14:39:28.485005Z",
"structure_string": "K1 Hg2 Bi1\n1.0\n-6.496422 6.585593 9.139061\n6.496422 -6.585593 9.139061\n6.496422 6.585593 -9.139061\nK Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.741889 0.000000 0.741889 Hg\n0.258111 0.000000 0.258111 Hg\n0.500000 0.000000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Bi"
],
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"density": 0.689344305502054,
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"volume": 1563.9781558719453,
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"formula_full": "K1 Hg2 Bi1",
"formula_reduced": "KHg2Bi",
"formula_anonymous": "ABC2",
"energy": -3.59289723,
"energy_per_atom": -0.8982243075,
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"formation_energy": null,
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"updated_at": "2021-11-28T01:34:42.522000Z",
"spacegroup": 71
},
{
"id": "mp-1095752",
"created_at": "2022-09-04T14:39:18.644312Z",
"structure_string": "Cs1 K1 Au2\n1.0\n-6.401265 6.568227 9.312422\n6.401265 -6.568227 9.312422\n6.401265 6.568227 -9.312422\nCs K Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 K\n0.000000 0.240059 0.240059 Au\n0.000000 0.759941 0.759941 Au\n",
"nsites": 4,
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"density": 0.600040413327613,
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"volume": 1566.1617018385023,
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"formula_full": "Cs1 K1 Au2",
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"energy": -8.09277375,
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"updated_at": "2021-11-28T01:34:32.075000Z",
"spacegroup": 71
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{
"id": "mp-1093748",
"created_at": "2022-09-04T14:43:15.775270Z",
"structure_string": "Rb2 Au1 I1\n1.0\n-6.467235 6.623159 9.146578\n6.467235 -6.623159 9.146578\n6.467235 6.623159 -9.146578\nRb Au I\n2 1 1\ndirect\n0.257245 0.000000 0.257245 Rb\n0.742755 0.000000 0.742755 Rb\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
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"density": 0.5243027777266706,
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"volume": 1567.1207351506407,
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"formula_full": "Rb2 Au1 I1",
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"updated_at": "2021-11-28T01:36:12.432000Z",
"spacegroup": 71
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{
"id": "mp-1096160",
"created_at": "2022-09-04T14:45:59.545149Z",
"structure_string": "Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
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"volume": 1568.0316599181492,
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"spacegroup": 71
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{
"id": "mp-1093659",
"created_at": "2022-09-04T14:39:13.755492Z",
"structure_string": "Ca2 Al1 Tl1\n1.0\n-6.144115 6.691737 9.544502\n6.144115 -6.691737 9.544502\n6.144115 6.691737 -9.544502\nCa Al Tl\n2 1 1\ndirect\n0.000000 0.242329 0.242329 Ca\n0.000000 0.757671 0.757671 Ca\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n",
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"formula_full": "Ca2 Al1 Tl1",
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"spacegroup": 71
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{
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"created_at": "2022-09-04T14:39:16.740144Z",
"structure_string": "Ca2 Zn1 Pb1\n1.0\n-6.245206 6.669501 9.428726\n6.245206 -6.669501 9.428726\n6.245206 6.669501 -9.428726\nCa Zn Pb\n2 1 1\ndirect\n0.000000 0.257838 0.257838 Ca\n0.000000 0.742162 0.742162 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1570.9165563489637,
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"formula_full": "Ca2 Zn1 Pb1",
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"updated_at": "2021-11-28T01:34:44.191000Z",
"spacegroup": 71
}
]
}