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{
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{
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{
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{
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{
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"structure_string": "Lu1 Sb1 Pt1\n1.0\n0.000000 3.267263 3.267263\n3.267263 0.000000 3.267263\n3.267263 3.267263 0.000000\nLu Sb Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
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{
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{
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"structure_string": "K1 Na1 Mg6 O7\n1.0\n8.235840 -0.000000 0.000000\n0.000000 4.635152 0.000000\n0.000000 0.000000 4.635152\nK Na Mg O\n1 1 6 7\ndirect\n0.032316 -0.000000 -0.000000 K\n0.498291 -0.000000 -0.000000 Na\n0.995228 0.500000 0.500000 Mg\n0.498702 0.500000 0.500000 Mg\n0.247869 -0.000000 0.500000 Mg\n0.750288 -0.000000 0.500000 Mg\n0.247869 0.500000 0.000000 Mg\n0.750288 0.500000 -0.000000 Mg\n0.750892 0.000000 -0.000000 O\n0.246984 0.500000 0.500000 O\n0.746714 0.500000 0.500000 O\n0.010386 0.000000 0.500000 O\n0.481893 0.000000 0.500000 O\n0.010386 0.500000 0.000000 O\n0.481893 0.500000 -0.000000 O\n",
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"elements": [
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],
"chemical_system": "K-Mg-Na-O",
"density": 3.002246202529952,
"density_atomic": 0.08477257929493517,
"volume": 176.9440086022744,
"volume_molar": 7.103878176276982,
"formula_full": "K1 Na1 Mg6 O7",
"formula_reduced": "KNaMg6O7",
"formula_anonymous": "ABC6D7",
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"updated_at": "2021-11-28T01:36:38.290000Z",
"spacegroup": 99
},
{
"id": "mp-568264",
"created_at": "2022-09-04T14:44:22.259973Z",
"structure_string": "Si2 Se4\n1.0\n-2.965983 3.298968 5.464126\n2.965983 -3.298968 5.464126\n2.965983 3.298968 -5.464126\nSi Se\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.303961 0.111806 0.192155 Se\n0.696039 0.888194 0.807845 Se\n0.080349 0.388194 0.692155 Se\n0.919651 0.611806 0.307845 Se\n",
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"chemical_system": "Se-Si",
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"formula_full": "Si2 Se4",
"formula_reduced": "SiSe2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:36:29.028000Z",
"spacegroup": 72
},
{
"id": "mp-1032860",
"created_at": "2022-09-04T14:44:28.492781Z",
"structure_string": "K1 Y1 Mg6 O8\n1.0\n8.923613 0.000000 0.000000\n0.000000 4.544351 0.000000\n0.000000 0.000000 4.544351\nK Y Mg O\n1 1 6 8\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 -0.000000 Y\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.267450 0.000000 0.500000 Mg\n0.732550 -0.000000 0.500000 Mg\n0.267450 0.500000 -0.000000 Mg\n0.732550 0.500000 0.000000 Mg\n0.261181 0.000000 0.000000 O\n0.738819 -0.000000 -0.000000 O\n0.278494 0.500000 0.500000 O\n0.721506 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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"elements": [
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],
"chemical_system": "K-Mg-O-Y",
"density": 3.620814602502764,
"density_atomic": 0.08682314603319226,
"volume": 184.28265653819136,
"volume_molar": 6.936100608123267,
"formula_full": "K1 Y1 Mg6 O8",
"formula_reduced": "KYMg6O8",
"formula_anonymous": "ABC6D8",
"energy": -101.45175415,
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"updated_at": "2021-11-28T01:36:32.597000Z",
"spacegroup": 123
}
]
}