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{
"id": "mp-1183988",
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"structure_string": "Ga2 H2\n1.0\n1.608673 -2.786303 0.000000\n1.608673 2.786303 0.000000\n0.000000 0.000000 5.672982\nGa H\n2 2\ndirect\n0.666667 0.333333 0.517348 Ga\n0.333333 0.666667 0.017348 Ga\n0.666667 0.333333 0.857653 H\n0.333333 0.666667 0.357653 H\n",
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{
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"created_at": "2022-09-04T14:46:29.484484Z",
"structure_string": "Re1 Ir1\n1.0\n1.387864 -2.403852 0.000000\n1.387864 2.403852 0.000000\n0.000000 0.000000 4.408738\nRe Ir\n1 1\ndirect\n0.000000 0.000000 0.500000 Re\n0.333333 0.666667 0.000000 Ir\n",
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"updated_at": "2021-11-28T01:37:37.184000Z",
"spacegroup": 187
},
{
"id": "mp-493",
"created_at": "2022-09-04T14:46:29.415223Z",
"structure_string": "Co4 B2\n1.0\n-2.473460 2.473460 2.133577\n2.473460 -2.473460 2.133577\n2.473460 2.473460 -2.133577\nCo B\n4 2\ndirect\n0.667968 0.167968 0.835935 Co\n0.332032 0.832032 0.164065 Co\n0.832032 0.667968 0.500000 Co\n0.167968 0.332032 0.500000 Co\n0.750000 0.750000 0.000000 B\n0.250000 0.250000 0.000000 B\n",
"nsites": 6,
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"elements": [
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],
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"density": 8.184708965211051,
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"volume": 52.21293365258086,
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"spacegroup": 140
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{
"id": "mp-1187305",
"created_at": "2022-09-04T14:46:53.646057Z",
"structure_string": "Tb3 Sc1\n1.0\n4.930382 0.000000 0.000000\n0.000000 4.930382 0.000000\n0.000000 0.000000 4.930382\nTb Sc\n3 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
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"density": 7.228610644088826,
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"updated_at": "2021-11-28T01:37:36.875000Z",
"spacegroup": 221
},
{
"id": "mp-1183236",
"created_at": "2022-09-04T14:46:53.853693Z",
"structure_string": "Ac1 Yb3\n1.0\n0.000000 4.338417 4.338417\n4.338417 0.000000 4.338417\n4.338417 4.338417 0.000000\nAc Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
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"density": 7.586367966492707,
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"volume": 163.31417271661587,
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"formula_full": "Ac1 Yb3",
"formula_reduced": "AcYb3",
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"updated_at": "2021-11-28T01:37:44.221000Z",
"spacegroup": 225
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{
"id": "mp-704745",
"created_at": "2022-09-04T14:46:54.284729Z",
"structure_string": "Cu8 O1\n1.0\n2.757636 -3.650260 0.000000\n2.757636 3.650260 0.000000\n0.000000 0.000000 5.363335\nCu O\n8 1\ndirect\n0.569879 0.852352 0.000000 Cu\n0.147648 0.430121 0.000000 Cu\n0.635565 0.871135 0.500000 Cu\n0.128865 0.364435 0.500000 Cu\n0.622987 0.377013 0.735049 Cu\n0.622987 0.377013 0.264951 Cu\n0.142668 0.857332 0.283909 Cu\n0.142668 0.857332 0.716091 Cu\n0.986733 0.013267 0.000000 O\n",
"nsites": 9,
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"density": 8.064159736219928,
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"volume": 107.97560830058956,
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"formula_full": "Cu8 O1",
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"updated_at": "2021-11-28T01:37:39.951000Z",
"spacegroup": 38
},
{
"id": "mp-1210567",
"created_at": "2022-09-04T14:46:53.136719Z",
"structure_string": "Mn1 Zn13\n1.0\n3.802612 5.411244 0.000000\n-3.802612 5.411244 0.000000\n0.000000 0.940232 5.092173\nMn Zn\n1 13\ndirect\n0.000000 0.000000 0.500000 Mn\n0.356325 0.997016 0.197603 Zn\n0.643675 0.002984 0.802397 Zn\n0.002984 0.643675 0.802397 Zn\n0.997016 0.356325 0.197603 Zn\n0.626088 0.218977 0.321153 Zn\n0.373912 0.781023 0.678847 Zn\n0.781023 0.373912 0.678847 Zn\n0.218977 0.626088 0.321153 Zn\n0.000000 0.000000 0.000000 Zn\n0.612994 0.612994 0.066636 Zn\n0.387006 0.387006 0.933364 Zn\n0.779150 0.779150 0.363077 Zn\n0.220850 0.220850 0.636923 Zn\n",
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"elements": [
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"density": 7.173114679707112,
"density_atomic": 0.06680604450566233,
"volume": 209.56187577927014,
"volume_molar": 9.014365099088568,
"formula_full": "Mn1 Zn13",
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"formula_anonymous": "AB13",
"energy": -25.84017269,
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{
"id": "mp-1184741",
"created_at": "2022-09-04T14:46:32.156179Z",
"structure_string": "Ho2 Br4\n1.0\n7.277470 0.000000 0.000000\n0.000000 7.277470 0.000000\n0.000000 0.000000 3.638528\nHo Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.282461 0.282461 0.000000 Br\n0.717539 0.717539 0.000000 Br\n0.217539 0.782461 0.500000 Br\n0.782461 0.217539 0.500000 Br\n",
"nsites": 6,
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"density": 5.596623139093773,
"density_atomic": 0.031136133551417363,
"volume": 192.70215391682348,
"volume_molar": 19.341324927371602,
"formula_full": "Ho2 Br4",
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{
"id": "mp-1187259",
"created_at": "2022-09-04T14:46:37.998216Z",
"structure_string": "Sr1 Eu1\n1.0\n2.053399 -3.556591 0.000000\n2.053399 3.556591 0.000000\n0.000000 0.000000 6.798141\nSr Eu\n1 1\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.500000 Eu\n",
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"formula_full": "Sr1 Eu1",
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{
"id": "mp-982246",
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{
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"structure_string": "Cs3 Pt1\n1.0\n5.777653 0.000000 0.000000\n0.000000 5.777653 0.000000\n0.000000 0.000000 5.777653\nCs Pt\n3 1\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Pt\n",
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]
}