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{
"id": "mp-1377",
"created_at": "2022-09-04T14:42:04.246575Z",
"structure_string": "Th1 Cu2\n1.0\n2.200154 -3.810779 0.000000\n2.200154 3.810779 0.000000\n0.000000 0.000000 3.460249\nTh Cu\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 Cu\n",
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{
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"spacegroup": 225
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{
"id": "mp-1096551",
"created_at": "2022-09-04T14:40:56.369888Z",
"structure_string": "In1 Fe1 Rh2\n1.0\n-4.798465 5.428729 7.675657\n4.798465 -5.428729 7.675657\n4.798465 5.428729 -7.675657\nIn Fe Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Fe\n0.000000 0.230568 0.230568 Rh\n0.000000 0.769432 0.769432 Rh\n",
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"volume": 799.7901375599529,
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"formula_full": "In1 Fe1 Rh2",
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"updated_at": "2021-11-28T01:35:01.820000Z",
"spacegroup": 71
},
{
"id": "mp-998323",
"created_at": "2022-09-04T14:40:38.040565Z",
"structure_string": "Cs1 In1 Br3\n1.0\n5.774009 0.000000 0.000000\n0.000000 5.774009 0.000000\n0.000000 0.000000 5.774409\nCs In Br\n1 1 3\ndirect\n0.500000 0.500000 0.005730 Cs\n0.000000 0.000000 0.514602 In\n0.000000 0.500000 0.513664 Br\n0.000000 0.000000 0.014031 Br\n0.500000 0.000000 0.513664 Br\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Br-Cs-In",
"density": 4.204397370159399,
"density_atomic": 0.02597212890868884,
"volume": 192.51406065242793,
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"formula_full": "Cs1 In1 Br3",
"formula_reduced": "CsInBr3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:06.036000Z",
"spacegroup": 99
},
{
"id": "mp-1218915",
"created_at": "2022-09-04T14:47:03.622386Z",
"structure_string": "Sn1 Te2 Pb1\n1.0\n4.584719 0.000000 0.000000\n0.000000 4.584719 0.000000\n0.000000 0.000000 6.506024\nSn Te Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"density": 7.056126208558099,
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"volume": 136.75433636965968,
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"formula_full": "Sn1 Te2 Pb1",
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"updated_at": "2021-11-28T01:37:53.634000Z",
"spacegroup": 123
},
{
"id": "mp-10908",
"created_at": "2022-09-04T14:47:34.895949Z",
"structure_string": "Al1 Re1\n1.0\n3.062743 0.000000 0.000000\n0.000000 3.062743 0.000000\n0.000000 0.000000 3.062743\nAl Re\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Re\n",
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"density": 12.322002204711783,
"density_atomic": 0.06961427873632256,
"volume": 28.729738155808292,
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"formula_full": "Al1 Re1",
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"updated_at": "2021-11-28T01:38:15.276000Z",
"spacegroup": 221
},
{
"id": "mp-1218342",
"created_at": "2022-09-04T14:42:11.873582Z",
"structure_string": "Sr2 Cd2 Sn2\n1.0\n-5.112117 0.000000 0.000000\n-2.556059 -3.990112 4.280135\n2.556059 4.145446 4.428612\nSr Cd Sn\n2 2 2\ndirect\n0.747846 0.708720 0.204412 Sr\n0.252154 0.291280 0.795588 Sr\n0.559601 0.279932 0.399135 Cd\n0.440399 0.720068 0.600865 Cd\n0.052022 0.110432 0.214476 Sn\n0.947978 0.889568 0.785524 Sn\n",
"nsites": 6,
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"elements": [
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"Cd",
"Sn"
],
"chemical_system": "Cd-Sn-Sr",
"density": 5.84715506559439,
"density_atomic": 0.0331420095275397,
"volume": 181.0391127615312,
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"formula_full": "Sr2 Cd2 Sn2",
"formula_reduced": "SrCdSn",
"formula_anonymous": "ABC",
"energy": -16.20998632,
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"updated_at": "2021-11-28T01:35:38.730000Z",
"spacegroup": 12
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{
"id": "mp-862668",
"created_at": "2022-09-04T14:39:35.089586Z",
"structure_string": "Ce2 Hg6\n1.0\n3.435208 -5.949955 0.000000\n3.435208 5.949955 0.000000\n0.000000 0.000000 5.061236\nCe Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n0.836066 0.163934 0.250000 Hg\n0.836066 0.672131 0.250000 Hg\n0.327869 0.163934 0.250000 Hg\n0.163934 0.836066 0.750000 Hg\n0.163934 0.327869 0.750000 Hg\n0.672131 0.836066 0.750000 Hg\n",
"nsites": 8,
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"elements": [
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"density": 11.908661891760701,
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"volume": 206.89657614949147,
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"formula_full": "Ce2 Hg6",
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"updated_at": "2021-11-28T01:34:39.611000Z",
"spacegroup": 194
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{
"id": "mp-973142",
"created_at": "2022-09-04T14:40:37.106960Z",
"structure_string": "Sc1 Zn2 Pd1\n1.0\n0.000000 3.174668 3.174668\n3.174668 0.000000 3.174668\n3.174668 3.174668 0.000000\nSc Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"density": 7.322709384593257,
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"volume": 63.99189024469401,
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"formula_full": "Sc1 Zn2 Pd1",
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"updated_at": "2021-11-28T01:35:01.275000Z",
"spacegroup": 225
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{
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"created_at": "2022-09-04T14:47:04.455862Z",
"structure_string": "Ca2 As1 I1\n1.0\n7.619500 -2.202239 0.000000\n7.619500 2.202239 0.000000\n6.982994 0.000000 3.760909\nCa As I\n2 1 1\ndirect\n0.231053 0.231053 0.231053 Ca\n0.768947 0.768947 0.768947 Ca\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 I\n",
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"density": 3.709854253252261,
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"updated_at": "2021-11-28T01:37:54.325000Z",
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{
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"structure_string": "In1 Ag1 S2\n1.0\n6.559819 -1.911011 0.000000\n6.559819 1.911011 0.000000\n6.003102 0.000000 3.262815\nIn Ag S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.744567 0.744567 0.744567 S\n0.255433 0.255433 0.255433 S\n",
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{
"id": "mp-1185014",
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"structure_string": "La2 Mg1 Al1\n1.0\n0.000000 3.863436 3.863436\n3.863436 0.000000 3.863436\n3.863436 3.863436 0.000000\nLa Mg Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n",
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"formula_full": "La2 Mg1 Al1",
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"updated_at": "2021-11-28T01:34:38.159000Z",
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]
}