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{
"id": "mp-862909",
"created_at": "2022-09-04T14:44:19.744302Z",
"structure_string": "Pm1 Ge1 Au2\n1.0\n0.000000 3.514467 3.514467\n3.514467 0.000000 3.514467\n3.514467 3.514467 0.000000\nPm Ge Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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{
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"nsites": 4,
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"updated_at": "2021-11-28T01:36:30.899000Z",
"spacegroup": 71
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{
"id": "mp-1221660",
"created_at": "2022-09-04T14:44:29.579101Z",
"structure_string": "Mn1 Al2 Cu1\n1.0\n2.806630 0.000000 0.000000\n0.000000 2.806630 0.000000\n0.000000 0.000000 6.683073\nMn Al Cu\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.748388 Al\n0.000000 0.000000 0.251612 Al\n0.500000 0.500000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Cu-Mn",
"density": 5.43949419471843,
"density_atomic": 0.07598247926022506,
"volume": 52.64371522151556,
"volume_molar": 7.925696579833032,
"formula_full": "Mn1 Al2 Cu1",
"formula_reduced": "MnAl2Cu",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.853000Z",
"spacegroup": 123
},
{
"id": "mp-1076927",
"created_at": "2022-09-04T14:44:23.499278Z",
"structure_string": "Gd1 Pb3\n1.0\n4.916860 0.000000 0.000000\n0.000000 4.916860 0.000000\n0.000000 0.000000 4.916860\nGd Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Gd-Pb",
"density": 10.880263013873678,
"density_atomic": 0.03365088291610056,
"volume": 118.86760920873684,
"volume_molar": 17.895936861492135,
"formula_full": "Gd1 Pb3",
"formula_reduced": "GdPb3",
"formula_anonymous": "AB3",
"energy": -26.54658646,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.489000Z",
"spacegroup": 221
},
{
"id": "mp-1095870",
"created_at": "2022-09-04T14:44:23.439965Z",
"structure_string": "Ca2 Hg1 Ge1\n1.0\n-6.068015 6.305159 8.908799\n6.068015 -6.305159 8.908799\n6.068015 6.305159 -8.908799\nCa Hg Ge\n2 1 1\ndirect\n0.000000 0.229776 0.229776 Ca\n0.000000 0.770224 0.770224 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ge"
],
"chemical_system": "Ca-Ge-Hg",
"density": 0.4304042957749594,
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"volume": 1363.3954501614148,
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"formula_full": "Ca2 Hg1 Ge1",
"formula_reduced": "Ca2HgGe",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.619000Z",
"spacegroup": 71
},
{
"id": "mp-1215452",
"created_at": "2022-09-04T14:45:06.271945Z",
"structure_string": "Zn1 Sn1 Sb2\n1.0\n4.563304 0.000000 0.000000\n0.000000 4.563304 0.000000\n0.000000 0.000000 6.303985\nZn Sn Sb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.222111 Sb\n0.500000 0.000000 0.777889 Sb\n",
"nsites": 4,
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"elements": [
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"Sn",
"Sb"
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"chemical_system": "Sb-Sn-Zn",
"density": 5.409441496111208,
"density_atomic": 0.030470951558510245,
"volume": 131.2725660148555,
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"formula_full": "Zn1 Sn1 Sb2",
"formula_reduced": "ZnSnSb2",
"formula_anonymous": "ABC2",
"energy": -14.15839323,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.215000Z",
"spacegroup": 115
},
{
"id": "mp-1215413",
"created_at": "2022-09-04T14:44:17.380714Z",
"structure_string": "Zn1 Cu2 Ni1\n1.0\n8.273982 -1.297209 0.000000\n8.273982 1.297209 0.000000\n8.070603 0.000000 2.237608\nZn Cu Ni\n1 2 1\ndirect\n0.748081 0.748081 0.748081 Zn\n0.501119 0.501119 0.501119 Cu\n0.251229 0.251229 0.251229 Cu\n0.999571 0.999571 0.999571 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Zn",
"density": 8.684014182639356,
"density_atomic": 0.08327630836955449,
"volume": 48.03286887129095,
"volume_molar": 7.231517436238411,
"formula_full": "Zn1 Cu2 Ni1",
"formula_reduced": "ZnCu2Ni",
"formula_anonymous": "ABC2",
"energy": -15.39723707,
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"updated_at": "2021-11-28T01:36:29.783000Z",
"spacegroup": 160
},
{
"id": "mp-867216",
"created_at": "2022-09-04T14:44:23.464977Z",
"structure_string": "Ta1 Fe1 Ru2\n1.0\n0.000000 3.094198 3.094198\n3.094198 0.000000 3.094198\n3.094198 3.094198 0.000000\nTa Fe Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Fe\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
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"elements": [
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"Ru"
],
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"density": 12.301920417058305,
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"volume": 59.248082424966576,
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"formula_full": "Ta1 Fe1 Ru2",
"formula_reduced": "TaFeRu2",
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"updated_at": "2021-11-28T01:36:38.848000Z",
"spacegroup": 225
},
{
"id": "mp-1184758",
"created_at": "2022-09-04T14:44:17.311557Z",
"structure_string": "K2 Hg1 Au1\n1.0\n0.000000 4.120249 4.120249\n4.120249 0.000000 4.120249\n4.120249 4.120249 0.000000\nK Hg Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.6471640434835475,
"density_atomic": 0.02859299232659121,
"volume": 139.89441728629563,
"volume_molar": 21.061596810906238,
"formula_full": "K2 Hg1 Au1",
"formula_reduced": "K2HgAu",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:43.538000Z",
"spacegroup": 225
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{
"id": "mp-1187388",
"created_at": "2022-09-04T14:44:29.095069Z",
"structure_string": "Tb1 Tm1 Ir2\n1.0\n0.000000 3.415196 3.415196\n3.415196 0.000000 3.415196\n3.415196 3.415196 0.000000\nTb Tm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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"density": 14.846744002806256,
"density_atomic": 0.05020917625226486,
"volume": 79.6667123137589,
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"formula_full": "Tb1 Tm1 Ir2",
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"updated_at": "2021-11-28T01:36:32.671000Z",
"spacegroup": 225
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{
"id": "mp-21093",
"created_at": "2022-09-04T14:44:23.516064Z",
"structure_string": "Sr2 Pb2\n1.0\n2.564452 -6.222302 0.000000\n2.564452 6.222302 0.000000\n0.000000 0.000000 4.706633\nSr Pb\n2 2\ndirect\n0.133699 0.866301 0.250000 Sr\n0.866301 0.133699 0.750000 Sr\n0.415081 0.584919 0.250000 Pb\n0.584919 0.415081 0.750000 Pb\n",
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"volume": 150.20555403986722,
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"updated_at": "2021-11-28T01:36:38.828000Z",
"spacegroup": 63
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{
"id": "mp-21380",
"created_at": "2022-09-04T14:44:28.399568Z",
"structure_string": "Pt2 Pb2\n1.0\n1.936773 -3.354590 0.000000\n1.936773 3.354590 0.000000\n0.000000 0.000000 7.229109\nPt Pb\n2 2\ndirect\n0.666667 0.333333 0.750000 Pt\n0.333333 0.666667 0.250000 Pt\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n",
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"volume": 93.93618943311176,
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"updated_at": "2021-11-28T01:36:40.378000Z",
"spacegroup": 194
}
]
}