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{
"id": "mp-980660",
"created_at": "2022-09-04T14:41:21.421309Z",
"structure_string": "Tm6 Mg2\n1.0\n3.458198 -5.989774 0.000000\n3.458198 5.989774 0.000000\n0.000000 0.000000 5.498080\nTm Mg\n6 2\ndirect\n0.168738 0.337476 0.250000 Tm\n0.168738 0.831262 0.250000 Tm\n0.662524 0.831262 0.250000 Tm\n0.337476 0.168738 0.750000 Tm\n0.831262 0.168738 0.750000 Tm\n0.831262 0.662524 0.750000 Tm\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
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{
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"structure_string": "Sm1 Ho1 Ir2\n1.0\n0.000000 3.461036 3.461036\n3.461036 0.000000 3.461036\n3.461036 3.461036 0.000000\nSm Ho Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Ho\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
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"formula_full": "Sm1 Ho1 Ir2",
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"spacegroup": 225
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{
"id": "mp-27833",
"created_at": "2022-09-04T14:42:46.701569Z",
"structure_string": "Tl2 Te1 Cl6\n1.0\n0.000000 5.186951 5.186951\n5.186951 0.000000 5.186951\n5.186951 5.186951 0.000000\nTl Te Cl\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Te\n0.753159 0.753159 0.246841 Cl\n0.753159 0.246841 0.753159 Cl\n0.246841 0.753159 0.246841 Cl\n0.246841 0.246841 0.753159 Cl\n0.246841 0.753159 0.753159 Cl\n0.753159 0.246841 0.246841 Cl\n",
"nsites": 9,
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"elements": [
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"chemical_system": "Cl-Te-Tl",
"density": 4.456701372686942,
"density_atomic": 0.03224601693959913,
"volume": 279.10423841983766,
"volume_molar": 18.67561122752069,
"formula_full": "Tl2 Te1 Cl6",
"formula_reduced": "Tl2TeCl6",
"formula_anonymous": "AB2C6",
"energy": -29.98018843,
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"updated_at": "2021-11-28T01:35:50.896000Z",
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},
{
"id": "mp-1226447",
"created_at": "2022-09-04T14:39:28.979501Z",
"structure_string": "Co3 Ir1\n1.0\n1.310115 -2.269186 0.000000\n1.310115 2.269186 0.000000\n0.000000 0.000000 8.163292\nCo Ir\n3 1\ndirect\n0.333333 0.666667 0.000000 Co\n0.000000 0.000000 0.760800 Co\n0.000000 0.000000 0.239200 Co\n0.333333 0.666667 0.500000 Ir\n",
"nsites": 4,
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"density": 12.624673094865319,
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"volume": 48.53721367763911,
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"formula_full": "Co3 Ir1",
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"updated_at": "2021-11-28T01:34:37.585000Z",
"spacegroup": 187
},
{
"id": "mp-1226605",
"created_at": "2022-09-04T14:45:12.535914Z",
"structure_string": "Ce1 Cu1 Si2 Ni1\n1.0\n-2.025299 2.025299 4.836521\n2.025299 -2.025299 4.836521\n2.025299 2.025299 -4.836521\nCe Cu Si Ni\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.624236 0.624236 0.000000 Si\n0.375764 0.375764 0.000000 Si\n0.750000 0.250000 0.500000 Ni\n",
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"volume": 79.35446457247906,
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"formula_full": "Ce1 Cu1 Si2 Ni1",
"formula_reduced": "CeCuSi2Ni",
"formula_anonymous": "ABCD2",
"energy": -29.98218894,
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"updated_at": "2021-11-28T01:36:56.835000Z",
"spacegroup": 119
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{
"id": "mp-22149",
"created_at": "2022-09-04T14:43:36.701608Z",
"structure_string": "Dy2 Ge2 Au2\n1.0\n2.240322 -3.880352 0.000000\n2.240322 3.880352 0.000000\n0.000000 0.000000 7.329164\nDy Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.842264 Dy\n0.000000 0.000000 0.342264 Dy\n0.666667 0.333333 0.050461 Ge\n0.333333 0.666667 0.550461 Ge\n0.666667 0.333333 0.633275 Au\n0.333333 0.666667 0.133275 Au\n",
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"chemical_system": "Au-Dy-Ge",
"density": 11.2617001284564,
"density_atomic": 0.04708528978223761,
"volume": 127.42833330216503,
"volume_molar": 12.789855999297224,
"formula_full": "Dy2 Ge2 Au2",
"formula_reduced": "DyGeAu",
"formula_anonymous": "ABC",
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"total_magnetization": 1.3e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.500000Z",
"spacegroup": 186
},
{
"id": "mp-10061",
"created_at": "2022-09-04T14:48:31.058488Z",
"structure_string": "Er1 B1 Pd3\n1.0\n4.304722 0.000000 0.000000\n0.000000 4.304722 0.000000\n0.000000 0.000000 4.304722\nEr B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
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"density": 10.352814333897127,
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"formula_full": "Er1 B1 Pd3",
"formula_reduced": "ErBPd3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:40:00.831000Z",
"spacegroup": 221
},
{
"id": "mp-1226967",
"created_at": "2022-09-04T14:41:30.995109Z",
"structure_string": "Cd2 Sn1 Ge1 As4\n1.0\n-3.074554 3.074554 5.910977\n3.074554 -3.074554 5.910977\n3.074554 3.074554 -5.910977\nCd Sn Ge As\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Sn\n0.750000 0.250000 0.500000 Ge\n0.106543 0.135621 0.503215 As\n0.632406 0.603329 0.496785 As\n0.396671 0.893457 0.029077 As\n0.864379 0.367594 0.970923 As\n",
"nsites": 8,
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"elements": [
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"Sn",
"Ge",
"As"
],
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"density": 5.318543451345686,
"density_atomic": 0.035793690275337665,
"volume": 223.5030794103984,
"volume_molar": 16.824587556285962,
"formula_full": "Cd2 Sn1 Ge1 As4",
"formula_reduced": "Cd2SnGeAs4",
"formula_anonymous": "ABC2D4",
"energy": -29.98334522,
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"updated_at": "2021-11-28T01:35:22.040000Z",
"spacegroup": 82
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{
"id": "mp-861968",
"created_at": "2022-09-04T14:39:49.020008Z",
"structure_string": "Er2 Cl4\n1.0\n6.840937 0.000000 0.000000\n0.000000 6.840937 0.000000\n0.000000 0.000000 3.437541\nEr Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.280173 0.280173 0.000000 Cl\n0.719827 0.719827 0.000000 Cl\n0.219827 0.780173 0.500000 Cl\n0.780173 0.219827 0.500000 Cl\n",
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"volume": 160.871484178199,
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"formula_full": "Er2 Cl4",
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"updated_at": "2021-11-28T01:34:29.292000Z",
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{
"id": "mp-1094006",
"created_at": "2022-09-04T14:44:03.279013Z",
"structure_string": "Zn1 Ga2 S4\n1.0\n12.493788 -1.863826 0.000000\n12.493788 1.863826 0.000000\n12.215742 0.000000 3.216245\nZn Ga S\n1 2 4\ndirect\n0.231007 0.231007 0.231007 Zn\n0.998732 0.998732 0.998732 Ga\n0.764900 0.764900 0.764900 Ga\n0.880061 0.880061 0.880061 S\n0.123996 0.123996 0.123996 S\n0.301135 0.301135 0.301135 S\n0.704169 0.704169 0.704169 S\n",
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"density": 3.6928755213667217,
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"volume": 149.78855040468292,
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"formula_full": "Zn1 Ga2 S4",
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{
"id": "mp-571211",
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"structure_string": "V3 Si1\n1.0\n-2.460986 2.460986 2.460986\n2.460986 -2.460986 2.460986\n2.460986 2.460986 -2.460986\nV Si\n3 1\ndirect\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Si\n",
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"volume": 59.61937523426027,
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"formula_full": "V3 Si1",
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"updated_at": "2021-11-28T01:36:25.150000Z",
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{
"id": "mp-1018692",
"created_at": "2022-09-04T14:45:28.825984Z",
"structure_string": "Er2 Te4\n1.0\n4.425217 0.000000 0.000000\n0.000000 4.425217 0.000000\n0.000000 0.000000 8.846543\nEr Te\n2 4\ndirect\n0.000000 0.500000 0.729039 Er\n0.500000 0.000000 0.270961 Er\n0.000000 0.500000 0.372715 Te\n0.500000 0.000000 0.627285 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n",
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"volume": 173.23783078945422,
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"formula_full": "Er2 Te4",
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"updated_at": "2021-11-28T01:36:57.531000Z",
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]
}