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"structure_string": "Li8 B16 O28\n1.0\n7.836370 -0.015906 -3.129801\n-4.235905 6.965283 -2.178658\n-0.009673 0.015906 8.438262\nLi B O\n8 16 28\ndirect\n0.686508 0.681563 0.696745 Li\n0.515183 0.446745 0.260237 Li\n0.313493 0.010238 0.995055 Li\n0.484818 0.745055 -0.068437 Li\n-0.015182 0.181563 0.495055 Li\n0.015183 0.510237 0.196745 Li\n0.186508 -0.053255 0.431563 Li\n0.813493 0.245055 0.760238 Li\n0.757591 0.616707 0.038331 B\n0.742409 0.109117 0.030740 B\n0.078378 0.609118 0.866708 B\n-0.078377 0.788331 0.530740 B\n0.668132 0.885133 0.441406 B\n0.421623 0.780740 0.538331 B\n0.443728 0.385134 0.717003 B\n0.168132 0.691406 0.635134 B\n0.056273 0.191406 0.023275 B\n0.257591 0.288331 0.366708 B\n-0.056272 -0.032997 0.135134 B\n0.242410 0.280741 0.859118 B\n0.556273 0.273275 0.941406 B\n0.831869 0.467002 0.523275 B\n0.578377 0.116708 0.359118 B\n0.331869 0.773275 0.217003 B\n0.575728 0.120908 -0.019317 O\n-0.000000 -0.003336 -0.003336 O\n0.359776 0.730683 0.654955 O\n0.500000 0.246664 0.746664 O\n0.787156 0.624004 0.520261 O\n0.896256 0.233104 0.020260 O\n0.075729 0.230684 0.870908 O\n0.603744 0.586848 0.874004 O\n0.424272 0.404955 0.545180 O\n0.255730 0.339825 0.724611 O\n0.744270 0.468881 0.084095 O\n0.115214 0.834095 0.589825 O\n0.140225 0.620908 0.045180 O\n0.755729 -0.025389 0.089825 O\n0.244271 0.334095 0.218881 O\n0.712844 0.086848 0.483105 O\n0.384787 0.968881 0.224611 O\n-0.140224 0.904955 0.480684 O\n0.924272 0.795179 0.154955 O\n0.500000 0.746663 0.246664 O\n0.615214 0.839825 0.584095 O\n0.640225 0.295179 0.370908 O\n0.884787 0.474611 0.718881 O\n0.103744 0.124004 0.336848 O\n0.000001 0.496664 0.496664 O\n0.396257 0.270261 0.983105 O\n0.212845 0.733105 0.836848 O\n0.287156 0.770260 0.374004 O\n",
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"elements": [
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"density_atomic": 0.1129736267510243,
"volume": 460.28441765970416,
"volume_molar": 5.330572216887247,
"formula_full": "Li8 B16 O28",
"formula_reduced": "Li2B4O7",
"formula_anonymous": "A2B4C7",
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"spacegroup": 110
},
{
"id": "jvasp-47127",
"created_at": "2022-09-04T14:38:06.665404Z",
"updated_at": "2022-09-04T14:38:06.665423Z",
"structure_string": "Li3 Si1 Ni3 O8\n1.0\n0.000000 5.041935 -0.020995\n5.557870 0.000000 0.000000\n0.000000 -1.879139 -4.730441\nLi Si Ni O\n3 1 3 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.499999 0.756285 -0.000000 Li\n0.499999 0.243715 -0.000000 Li\n0.499999 0.000000 0.499999 Si\n-0.000000 0.753800 0.500000 Ni\n-0.000000 0.246200 0.500000 Ni\n0.499999 0.500000 0.499999 Ni\n0.728647 0.000000 0.297749 O\n0.763357 0.500000 0.280178 O\n0.716639 0.759883 0.716160 O\n0.283359 0.759883 0.283839 O\n0.716639 0.240117 0.716160 O\n0.271352 0.000000 0.702250 O\n0.236642 0.500000 0.719821 O\n0.283359 0.240117 0.283839 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Li-Ni-O-Si",
"density": 4.414473776199293,
"density_atomic": 0.11297080038546212,
"volume": 132.77767306967144,
"volume_molar": 5.330705580072151,
"formula_full": "Li3 Si1 Ni3 O8",
"formula_reduced": "Li3SiNi3O8",
"formula_anonymous": "AB3C3D8",
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"spacegroup": 10
}
]
}