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{
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"structure_string": "Li1 Be1 N1\n1.0\n0.000000 2.174019 2.174019\n2.174019 0.000000 2.174019\n2.174019 2.174019 0.000000\nBe Li N\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 N\n",
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{
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"structure_string": "Mn4 Al4 B4 O16\n1.0\n4.012783 0.000000 0.000000\n0.000000 5.255215 0.000000\n0.000000 0.000000 9.095502\nAl B Mn O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.408893 0.250000 0.087520 B\n0.908893 0.750000 0.412480 B\n0.091107 0.250000 0.587520 B\n0.591107 0.750000 0.912480 B\n0.484546 0.750000 0.224588 Mn\n0.984544 0.250000 0.275411 Mn\n0.015456 0.750000 0.724589 Mn\n0.515454 0.250000 0.775412 Mn\n0.753982 0.750000 0.056754 O\n0.741230 0.250000 0.081496 O\n0.264852 0.037966 0.150207 O\n0.264852 0.462034 0.150207 O\n0.764850 0.537966 0.349793 O\n0.764850 0.962034 0.349793 O\n0.241230 0.750000 0.418504 O\n0.253981 0.250000 0.443246 O\n0.746019 0.750000 0.556754 O\n0.758770 0.250000 0.581496 O\n0.235150 0.037966 0.650207 O\n0.235150 0.462034 0.650207 O\n0.735148 0.537966 0.849793 O\n0.735148 0.962034 0.849793 O\n0.258770 0.750000 0.918504 O\n0.246018 0.250000 0.943246 O\n",
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{
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{
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{
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"structure_string": "Fe2 B4\n1.0\n0.000000 2.739625 2.739625\n2.739625 0.000000 2.739625\n2.739625 2.739625 0.000000\nB Fe\n4 2\ndirect\n0.125000 0.125000 0.125000 B\n0.625000 0.125000 0.125000 B\n0.125000 0.625000 0.125000 B\n0.125000 0.125000 0.625000 B\n0.500000 0.500000 0.500000 Fe\n0.750000 0.750000 0.750000 Fe\n",
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"structure_string": "Sr1 Co1 F12\n1.0\n2.466680 1.424139 4.552811\n-2.466680 1.424139 4.552811\n0.000000 -2.848277 4.552811\nCo F Sr\n1 12 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.168010 0.593817 0.013024 F\n0.593817 0.168010 0.013024 F\n0.593817 0.013024 0.168010 F\n0.013024 0.593817 0.168010 F\n0.986976 0.831990 0.406183 F\n0.831990 0.986976 0.406183 F\n0.168010 0.013024 0.593817 F\n0.013024 0.168010 0.593817 F\n0.986976 0.406183 0.831990 F\n0.406183 0.986976 0.831990 F\n0.831990 0.406183 0.986976 F\n0.406183 0.831990 0.986976 F\n0.500000 0.500000 0.500000 Sr\n",
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"chemical_system": "H-Ni-Rh",
"density": 6.897568357506229,
"density_atomic": 0.14573076807428634,
"volume": 68.61968911673131,
"volume_molar": 4.13237426768396,
"formula_full": "Ni3 H6 Rh1",
"formula_reduced": "Ni3H6Rh",
"formula_anonymous": "AB3C6",
"formation_energy": 0.1970943466894944,
"spacegroup": 225
}
]
}