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{
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{
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"elements": [
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],
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"formula_full": "Sc8 Fe2",
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"updated_at": "2021-11-28T01:38:28.931000Z",
"spacegroup": 227
},
{
"id": "mp-1191905",
"created_at": "2022-09-04T14:47:58.396898Z",
"structure_string": "Dy6 Si4 Ni12\n1.0\n-4.379227 4.379227 4.379227\n4.379227 -4.379227 4.379227\n4.379227 4.379227 -4.379227\nDy Si Ni\n6 4 12\ndirect\n0.715051 0.715051 0.000000 Dy\n0.284949 0.000000 0.284949 Dy\n0.000000 0.284949 0.284949 Dy\n0.284949 0.284949 0.000000 Dy\n0.715051 0.000000 0.715051 Dy\n0.000000 0.715051 0.715051 Dy\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.331076 0.331076 0.662152 Ni\n0.668924 0.000000 0.331076 Ni\n0.000000 0.668924 0.331076 Ni\n0.668924 0.331076 0.000000 Ni\n0.331076 0.662152 0.331076 Ni\n0.000000 0.331076 0.668924 Ni\n0.331076 0.668924 0.000000 Ni\n0.331076 0.000000 0.668924 Ni\n0.662152 0.331076 0.331076 Ni\n0.668924 0.668924 0.337848 Ni\n0.668924 0.337848 0.668924 Ni\n0.337848 0.668924 0.668924 Ni\n",
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"elements": [
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"density": 8.856314073359597,
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"volume": 335.9327649098767,
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"formula_full": "Dy6 Si4 Ni12",
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},
{
"id": "mp-1236521",
"created_at": "2022-09-04T14:47:58.398916Z",
"structure_string": "Li1 Ti1 H6 O2 F6\n1.0\n-0.110044 -0.063534 -6.187124\n-2.692798 -4.769828 -0.107548\n-2.784393 4.822710 0.000000\nLi Ti H O F\n1 1 6 2 6\ndirect\n0.000000 0.000000 0.536616 Li\n0.000000 0.000000 0.016729 Ti\n0.680105 0.765682 0.300535 H\n0.710461 0.413487 0.120038 H\n0.289539 0.586513 0.706552 H\n0.729253 0.602423 0.482465 H\n0.270747 0.397577 0.880042 H\n0.319895 0.234318 0.534852 H\n0.656261 0.587826 0.309036 O\n0.343739 0.412174 0.721212 O\n0.850279 0.655910 0.747622 F\n0.786350 0.019589 0.295384 F\n0.213649 0.980411 0.275796 F\n0.791008 0.169299 0.855116 F\n0.208991 0.830701 0.685817 F\n0.149720 0.344090 0.091712 F\n",
"nsites": 16,
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"elements": [
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"H",
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],
"chemical_system": "F-H-Li-O-Ti",
"density": 2.114399471005726,
"density_atomic": 0.09849477557944625,
"volume": 162.44516428279326,
"volume_molar": 6.114172781826909,
"formula_full": "Li1 Ti1 H6 O2 F6",
"formula_reduced": "LiTiH6(OF3)2",
"formula_anonymous": "ABC2D6E6",
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"updated_at": "2021-11-28T01:38:27.061000Z",
"spacegroup": 5
}
]
}