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{
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{
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{
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"structure_string": "Ni7 P6 O24\n1.0\n8.678344 -0.029112 -1.455897\n3.034387 8.130620 1.455897\n0.031195 -0.045100 6.571330\nNi P O\n7 6 24\ndirect\n0.007211 0.355625 0.191964 Ni\n0.003017 0.996983 0.001354 Ni\n0.644375 0.992789 0.191964 Ni\n0.363477 0.997011 0.813897 Ni\n0.674800 0.665903 0.003497 Ni\n0.334097 0.325200 0.003497 Ni\n0.002989 0.636523 0.813897 Ni\n0.725520 0.906786 0.708183 P\n0.917355 0.717717 0.297252 P\n0.328995 0.671005 0.070833 P\n0.282283 0.082645 0.297252 P\n0.093214 0.274480 0.708183 P\n0.678743 0.321257 0.938558 P\n0.247207 0.572199 0.936727 O\n0.657931 0.018141 0.491366 O\n0.393882 0.031466 0.137205 O\n0.095622 0.107912 0.208820 O\n0.427801 0.752793 0.936727 O\n0.260522 0.270932 0.281411 O\n0.750207 0.717895 0.725013 O\n0.029007 0.653255 0.514151 O\n0.968534 0.606118 0.137205 O\n0.729068 0.739478 0.281411 O\n0.981859 0.342069 0.491366 O\n0.552041 0.447958 0.750342 O\n0.614226 0.956326 0.869362 O\n0.199683 0.800317 0.140251 O\n0.911360 0.885003 0.794693 O\n0.806305 0.193695 0.863946 O\n0.762735 0.418364 0.073436 O\n0.114997 0.088640 0.794693 O\n0.892088 0.904378 0.208820 O\n0.043674 0.385774 0.869362 O\n0.346745 0.970993 0.514151 O\n0.282105 0.249793 0.725013 O\n0.453828 0.546172 0.263310 O\n0.581636 0.237265 0.073436 O\n",
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{
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"structure_string": "Ca4 Y2 As2 W4 O24\n1.0\n-2.604467 2.604467 17.288919\n2.604467 -2.604467 17.288919\n2.604467 2.604467 -17.288919\nCa Y As W O\n4 2 2 4 24\ndirect\n0.913665 0.413665 0.500000 Ca\n0.163665 0.163665 0.000000 Ca\n0.836335 0.836335 0.000000 Ca\n0.586335 0.086335 0.500000 Ca\n0.500000 0.500000 0.000000 Y\n0.250000 0.750000 0.500000 Y\n0.750000 0.250000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.074702 0.574702 0.500000 W\n0.675298 0.675298 0.000000 W\n0.425298 0.925298 0.500000 W\n0.324702 0.324702 0.000000 W\n0.529804 0.018898 0.102963 O\n0.176841 0.779804 0.010906 O\n0.768898 0.165935 0.989094 O\n0.915935 0.426841 0.897037 O\n0.220196 0.231102 0.397037 O\n0.573159 0.470196 0.489094 O\n0.981102 0.084065 0.510906 O\n0.834065 0.823159 0.602963 O\n0.982378 0.863723 0.453543 O\n0.278836 0.232378 0.618655 O\n0.613723 0.660181 0.381345 O\n0.410181 0.528836 0.546457 O\n0.974125 0.847914 0.608070 O\n0.116055 0.224125 0.626211 O\n0.597914 0.489844 0.373789 O\n0.239844 0.366055 0.391930 O\n0.775875 0.402086 0.891930 O\n0.633945 0.025875 0.873789 O\n0.152086 0.760156 0.126211 O\n0.510156 0.883945 0.108070 O\n0.339819 0.721164 0.953543 O\n0.136277 0.589819 0.118655 O\n0.471164 0.017622 0.881345 O\n0.767622 0.386277 0.046457 O\n",
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{
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"structure_string": "Mn4 Bi4 O12\n1.0\n2.841431 4.842441 0.000000\n-2.841431 4.842441 0.000000\n0.000000 3.493573 9.353339\nMn Bi O\n4 4 12\ndirect\n0.227329 0.781295 0.756865 Mn\n0.781295 0.227329 0.256865 Mn\n0.503172 0.007614 0.006701 Mn\n0.007614 0.503172 0.506701 Mn\n0.348822 0.927231 0.378444 Bi\n0.927231 0.348822 0.878444 Bi\n0.079869 0.654468 0.132452 Bi\n0.654468 0.079869 0.632452 Bi\n0.279171 0.919143 0.926789 O\n0.919143 0.279171 0.426789 O\n0.092833 0.730275 0.586821 O\n0.730275 0.092833 0.086821 O\n0.701599 0.602044 0.141402 O\n0.602044 0.701599 0.641402 O\n0.415983 0.293885 0.378054 O\n0.293885 0.415983 0.878054 O\n0.907518 0.816632 0.342427 O\n0.816632 0.907518 0.842427 O\n0.188597 0.123900 0.169325 O\n0.123900 0.188597 0.669325 O\n",
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"elements": [
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"chemical_system": "Bi-Mn-O",
"density": 8.049140656477718,
"density_atomic": 0.0777019418875496,
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"formula_full": "Mn4 Bi4 O12",
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"updated_at": "2021-11-28T01:39:30.575000Z",
"spacegroup": 9
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{
"id": "mp-1186277",
"created_at": "2022-09-04T14:48:25.415693Z",
"structure_string": "Nd6 Fe2 O12\n1.0\n4.636112 -5.805491 0.000000\n4.636112 5.805491 0.000000\n0.000000 0.000000 5.674562\nNd Fe O\n6 2 12\ndirect\n0.200760 0.412967 0.032330 Nd\n0.799240 0.587033 0.532330 Nd\n0.587033 0.799240 0.032330 Nd\n0.412967 0.200760 0.532330 Nd\n0.896136 0.103864 0.577242 Nd\n0.103864 0.896136 0.077242 Nd\n0.309609 0.690391 0.500509 Fe\n0.690391 0.309609 0.000509 Fe\n0.716654 0.283346 0.333022 O\n0.283346 0.716654 0.833022 O\n0.460673 0.539327 0.357957 O\n0.539327 0.460673 0.857957 O\n0.084624 0.604620 0.329634 O\n0.915376 0.395380 0.829634 O\n0.395380 0.915376 0.329634 O\n0.604620 0.084624 0.829634 O\n0.146283 0.173055 0.303919 O\n0.853717 0.826945 0.803919 O\n0.826945 0.853717 0.303919 O\n0.173055 0.146283 0.803919 O\n",
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"chemical_system": "Fe-Nd-O",
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"density_atomic": 0.06547489026643866,
"volume": 305.46061121467307,
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"formula_full": "Nd6 Fe2 O12",
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"updated_at": "2021-11-28T01:39:11.682000Z",
"spacegroup": 36
},
{
"id": "mp-1190026",
"created_at": "2022-09-04T14:48:25.308342Z",
"structure_string": "Er12 Ru8\n1.0\n-4.751327 -4.751327 4.751327\n-4.751327 4.751327 -4.751327\n4.751327 -4.751327 -4.751327\nEr Ru\n12 8\ndirect\n0.375000 0.750000 0.625000 Er\n0.125000 0.250000 0.875000 Er\n0.750000 0.625000 0.375000 Er\n0.250000 0.875000 0.125000 Er\n0.625000 0.375000 0.750000 Er\n0.875000 0.125000 0.250000 Er\n0.875000 0.750000 0.125000 Er\n0.625000 0.250000 0.375000 Er\n0.750000 0.125000 0.875000 Er\n0.250000 0.375000 0.625000 Er\n0.125000 0.875000 0.750000 Er\n0.375000 0.625000 0.250000 Er\n0.238413 0.000000 0.500000 Ru\n0.000000 0.500000 0.238413 Ru\n0.500000 0.238413 0.000000 Ru\n0.261587 0.261587 0.261587 Ru\n0.000000 0.500000 0.738413 Ru\n0.738413 0.000000 0.500000 Ru\n0.500000 0.738413 0.000000 Ru\n0.761587 0.761587 0.761587 Ru\n",
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"elements": [
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"chemical_system": "Er-Ru",
"density": 10.89747267524158,
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"volume": 429.04688563229996,
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"formula_full": "Er12 Ru8",
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"formula_anonymous": "A2B3",
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"band_gap": 0.0,
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"total_magnetization": 0.0019274,
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"updated_at": "2021-11-28T01:39:34.486000Z",
"spacegroup": 220
}
]
}