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"results": [
{
"id": "mp-1097074",
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"structure_string": "Li1 Ca1 Tl2\n1.0\n-5.939552 6.510142 9.535240\n5.939552 -6.510142 9.535240\n5.939552 6.510142 -9.535240\nLi Ca Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.228377 0.228377 Tl\n0.000000 0.771623 0.771623 Tl\n",
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{
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{
"id": "mp-2730",
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"structure_string": "Hg1 Te1\n1.0\n0.000000 3.330199 3.330199\n3.330199 0.000000 3.330199\n3.330199 3.330199 0.000000\nHg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Te\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Hg-Te",
"density": 7.377919077797716,
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"volume": 73.86531493784373,
"volume_molar": 22.24136619187128,
"formula_full": "Hg1 Te1",
"formula_reduced": "HgTe",
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"energy": -4.20590481,
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"energy_uncorrected": -3.78390481,
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"updated_at": "2021-11-28T01:35:44.467000Z",
"spacegroup": 216
},
{
"id": "mp-1059242",
"created_at": "2022-09-04T14:46:08.272192Z",
"structure_string": "Cl1 O1\n1.0\n3.091301 0.000000 0.000000\n0.000000 3.091301 0.000000\n0.000000 0.000000 3.091301\nCl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Cl-O",
"density": 2.8922168473989274,
"density_atomic": 0.06770271928811421,
"volume": 29.540910926913345,
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"formula_full": "Cl1 O1",
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.968000Z",
"spacegroup": 221
},
{
"id": "mp-1185119",
"created_at": "2022-09-04T14:40:31.928720Z",
"structure_string": "K3 Rb1\n1.0\n-3.302089 3.302089 7.130011\n3.302089 -3.302089 7.130011\n3.302089 3.302089 -7.130011\nK Rb\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "K-Rb",
"density": 1.0827032066049205,
"density_atomic": 0.01286270327576311,
"volume": 310.97662087386453,
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"formula_full": "K3 Rb1",
"formula_reduced": "K3Rb",
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"updated_at": "2021-11-28T01:34:59.204000Z",
"spacegroup": 139
},
{
"id": "mp-1179832",
"created_at": "2022-09-04T14:42:54.098237Z",
"structure_string": "Rb8\n1.0\n-13.000871 13.000871 6.192701\n13.000871 -13.000871 6.192701\n13.000871 13.000871 -6.192701\nRb\n8\ndirect\n0.210183 0.086187 0.296370 Rb\n0.086187 0.789817 0.876005 Rb\n0.210183 0.913813 0.123995 Rb\n0.789817 0.913813 0.703630 Rb\n0.789817 0.086187 0.876005 Rb\n0.086187 0.210183 0.296370 Rb\n0.913813 0.210183 0.123995 Rb\n0.913813 0.789817 0.703630 Rb\n",
"nsites": 8,
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"elements": [
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"density": 0.27117934564032864,
"density_atomic": 0.0019107549173081662,
"volume": 4186.826854419531,
"volume_molar": 315.17075818828056,
"formula_full": "Rb8",
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"formula_anonymous": "A",
"energy": -4.22407837,
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"updated_at": "2021-11-28T01:35:55.898000Z",
"spacegroup": 139
},
{
"id": "mp-1096716",
"created_at": "2022-09-04T14:41:11.588042Z",
"structure_string": "Ca1 Y1 Cd2\n1.0\n-6.449112 6.484018 9.170540\n6.449112 -6.484018 9.170540\n6.449112 6.484018 -9.170540\nCa Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255929 0.255929 Cd\n0.000000 0.744071 0.744071 Cd\n",
"nsites": 4,
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"elements": [
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"Y",
"Cd"
],
"chemical_system": "Ca-Cd-Y",
"density": 0.38301437600139276,
"density_atomic": 0.002607720009356604,
"volume": 1533.9070090530577,
"volume_molar": 230.9350980317027,
"formula_full": "Ca1 Y1 Cd2",
"formula_reduced": "CaYCd2",
"formula_anonymous": "ABC2",
"energy": -4.22667022,
"energy_per_atom": -1.056667555,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:09.913000Z",
"spacegroup": 71
},
{
"id": "mp-1096726",
"created_at": "2022-09-04T14:42:19.617879Z",
"structure_string": "Ba1 Na2 Sn1\n1.0\n-6.894444 7.237143 10.015856\n6.894444 -7.237143 10.015856\n6.894444 7.237143 -10.015856\nBa Na Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.216022 0.216022 Na\n0.000000 0.783978 0.783978 Na\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"Na",
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"chemical_system": "Ba-Na-Sn",
"density": 0.250879605170803,
"density_atomic": 0.002000992798444065,
"volume": 1999.0076941357943,
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"formula_full": "Ba1 Na2 Sn1",
"formula_reduced": "BaNa2Sn",
"formula_anonymous": "ABC2",
"energy": -4.23691662,
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"updated_at": "2021-11-28T01:35:45.633000Z",
"spacegroup": 71
},
{
"id": "mp-1185090",
"created_at": "2022-09-04T14:46:52.040991Z",
"structure_string": "K3 Rb1\n1.0\n0.000000 5.415650 5.415650\n5.415650 0.000000 5.415650\n5.415650 5.415650 0.000000\nK Rb\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 4,
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"elements": [
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],
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"density": 1.0598768341859524,
"density_atomic": 0.012591521982961797,
"volume": 317.6740671550743,
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"formula_full": "K3 Rb1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:43.512000Z",
"spacegroup": 225
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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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"elements": [
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"chemical_system": "Al-Ca-Tl",
"density": 0.32955259547917376,
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"volume": 1569.6812273717437,
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"spacegroup": 71
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{
"id": "mp-975037",
"created_at": "2022-09-04T14:43:53.990225Z",
"structure_string": "Rb3 Ba1\n1.0\n0.000000 5.514430 5.514430\n5.514430 0.000000 5.514430\n5.514430 5.514430 0.000000\nRb Ba\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ba\n",
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"updated_at": "2021-11-28T01:36:26.455000Z",
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{
"id": "mp-1185057",
"created_at": "2022-09-04T14:40:30.074780Z",
"structure_string": "K3 Yb1\n1.0\n0.000000 5.089460 5.089460\n5.089460 0.000000 5.089460\n5.089460 5.089460 0.000000\nK Yb\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Yb\n",
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"updated_at": "2021-11-28T01:35:04.740000Z",
"spacegroup": 225
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]
}