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{
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{
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{
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{
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"structure_string": "Co3 Se4\n1.0\n1.787186 5.905025 0.000000\n-1.787186 5.905025 0.000000\n0.000000 3.027873 5.369963\nCo Se\n3 4\ndirect\n0.238777 0.238777 0.780659 Co\n0.761223 0.761223 0.219341 Co\n0.500000 0.500000 0.500000 Co\n0.866176 0.866176 0.475594 Se\n0.133824 0.133824 0.524406 Se\n0.377642 0.377642 0.955513 Se\n0.622358 0.622358 0.044487 Se\n",
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{
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"structure_string": "Cu8 Sb16 Cl8 O24\n1.0\n3.921575 -6.804083 0.000000\n3.921575 6.804083 0.000000\n0.000000 0.000000 18.859661\nCu Sb Cl O\n8 16 8 24\ndirect\n0.735417 0.742385 0.731653 Cu\n0.264583 0.257615 0.231653 Cu\n0.754288 0.245712 0.776560 Cu\n0.746393 0.253607 0.221992 Cu\n0.742385 0.735417 0.231653 Cu\n0.253607 0.746393 0.721992 Cu\n0.257615 0.264583 0.731653 Cu\n0.245712 0.754288 0.276560 Cu\n0.577937 0.897710 0.582247 Sb\n0.422063 0.102290 0.082247 Sb\n0.897710 0.577937 0.082247 Sb\n0.083434 0.916566 0.580211 Sb\n0.398261 0.076255 0.419026 Sb\n0.579128 0.420872 0.921785 Sb\n0.916566 0.083434 0.080211 Sb\n0.574997 0.425003 0.583576 Sb\n0.420872 0.579128 0.421785 Sb\n0.425003 0.574997 0.083576 Sb\n0.923745 0.601739 0.419026 Sb\n0.601739 0.923745 0.919026 Sb\n0.070754 0.929246 0.919294 Sb\n0.076255 0.398261 0.919026 Sb\n0.929246 0.070754 0.419294 Sb\n0.102290 0.422063 0.582247 Sb\n0.412695 0.587305 0.772137 Cl\n0.914411 0.085589 0.728344 Cl\n0.580889 0.915143 0.247296 Cl\n0.084857 0.419111 0.247296 Cl\n0.085589 0.914411 0.228344 Cl\n0.915143 0.580889 0.747296 Cl\n0.419111 0.084857 0.747296 Cl\n0.587305 0.412695 0.272137 Cl\n0.457319 0.167753 0.978699 O\n0.832247 0.542681 0.978699 O\n0.044709 0.955291 0.025158 O\n0.167753 0.457319 0.478699 O\n0.452573 0.547427 0.979007 O\n0.960356 0.662606 0.523890 O\n0.669321 0.707559 0.611881 O\n0.834542 0.791300 0.394319 O\n0.165458 0.208700 0.894319 O\n0.542681 0.832247 0.478699 O\n0.955291 0.044709 0.525158 O\n0.662606 0.960356 0.023890 O\n0.292441 0.330679 0.611881 O\n0.547427 0.452573 0.479007 O\n0.208700 0.165458 0.394319 O\n0.337394 0.039644 0.523890 O\n0.293818 0.706182 0.612445 O\n0.707559 0.669321 0.111881 O\n0.039644 0.337394 0.023890 O\n0.790174 0.209826 0.888052 O\n0.330679 0.292441 0.111881 O\n0.209826 0.790174 0.388052 O\n0.706182 0.293818 0.112445 O\n0.791300 0.834542 0.894319 O\n",
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"structure_string": "Y8 Mn12 Si12 O48\n1.0\n-6.224620 6.224620 6.224620\n6.224620 -6.224620 6.224620\n6.224620 6.224620 -6.224620\nY Mn Si O\n8 12 12 48\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.500000 Y\n0.875000 0.625000 0.250000 Mn\n0.625000 0.250000 0.875000 Mn\n0.875000 0.750000 0.625000 Mn\n0.750000 0.625000 0.875000 Mn\n0.250000 0.875000 0.625000 Mn\n0.625000 0.875000 0.750000 Mn\n0.125000 0.375000 0.750000 Mn\n0.375000 0.750000 0.125000 Mn\n0.125000 0.250000 0.375000 Mn\n0.250000 0.375000 0.125000 Mn\n0.750000 0.125000 0.375000 Mn\n0.375000 0.125000 0.250000 Mn\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.625000 0.750000 0.375000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.875000 0.250000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.625000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.481321 0.372801 0.277023 O\n0.295702 0.891480 0.018679 O\n0.608520 0.904222 0.127199 O\n0.595778 0.204298 0.222977 O\n0.127199 0.018679 0.222977 O\n0.204298 0.222977 0.595778 O\n0.204298 0.481321 0.608520 O\n0.222977 0.595778 0.204298 O\n0.372801 0.595778 0.891480 O\n0.904222 0.277023 0.295702 O\n0.277023 0.295702 0.904222 O\n0.222977 0.127199 0.018679 O\n0.481321 0.608520 0.204298 O\n0.891480 0.372801 0.595778 O\n0.018679 0.222977 0.127199 O\n0.608520 0.204298 0.481321 O\n0.595778 0.891480 0.372801 O\n0.018679 0.295702 0.891480 O\n0.904222 0.127199 0.608520 O\n0.627199 0.404222 0.108520 O\n0.372801 0.277023 0.481321 O\n0.277023 0.481321 0.372801 O\n0.891480 0.018679 0.295702 O\n0.295702 0.904222 0.277023 O\n0.518679 0.627199 0.722977 O\n0.704298 0.108520 0.981321 O\n0.391480 0.095778 0.872801 O\n0.404222 0.795702 0.777023 O\n0.872801 0.981321 0.777023 O\n0.795702 0.777023 0.404222 O\n0.795702 0.518679 0.391480 O\n0.777023 0.404222 0.795702 O\n0.704298 0.095778 0.722977 O\n0.108520 0.981321 0.704298 O\n0.722977 0.518679 0.627199 O\n0.627199 0.722977 0.518679 O\n0.872801 0.391480 0.095778 O\n0.095778 0.872801 0.391480 O\n0.981321 0.704298 0.108520 O\n0.404222 0.108520 0.627199 O\n0.391480 0.795702 0.518679 O\n0.981321 0.777023 0.872801 O\n0.108520 0.627199 0.404222 O\n0.518679 0.391480 0.795702 O\n0.777023 0.872801 0.981321 O\n0.722977 0.704298 0.095778 O\n0.095778 0.722977 0.704298 O\n0.127199 0.608520 0.904222 O\n",
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"density_atomic": 0.08292614261242665,
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"formula_full": "Y8 Mn12 Si12 O48",
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"updated_at": "2021-11-28T01:36:17.009000Z",
"spacegroup": 230
},
{
"id": "mp-1238416",
"created_at": "2022-09-04T14:43:25.027511Z",
"structure_string": "Mo6 N4 O22\n1.0\n8.143336 0.000000 0.000000\n0.000000 8.702323 0.000000\n0.000000 2.418101 9.971233\nMo N O\n6 4 22\ndirect\n0.566175 0.027343 0.189337 Mo\n0.066175 0.972657 0.810663 Mo\n0.433825 0.972657 0.810663 Mo\n0.933825 0.027343 0.189337 Mo\n0.250000 0.701275 0.161440 Mo\n0.750000 0.298725 0.838560 Mo\n0.581765 0.106979 0.899803 N\n0.081765 0.893021 0.100197 N\n0.418235 0.893021 0.100197 N\n0.918235 0.106979 0.899803 N\n0.510269 0.763177 0.151549 O\n0.010269 0.236823 0.848451 O\n0.489731 0.236823 0.848451 O\n0.989731 0.763177 0.151549 O\n0.250000 0.629020 0.331872 O\n0.750000 0.370980 0.668128 O\n0.250000 0.550375 0.079724 O\n0.750000 0.449625 0.920276 O\n0.514746 0.223698 0.147073 O\n0.014746 0.776302 0.852927 O\n0.485254 0.776302 0.852927 O\n0.985254 0.223698 0.147073 O\n0.545617 0.963286 0.359080 O\n0.045617 0.036714 0.640920 O\n0.454383 0.036714 0.640920 O\n0.954383 0.963286 0.359080 O\n0.385297 0.309677 0.432445 O\n0.885297 0.690323 0.567555 O\n0.614703 0.690323 0.567555 O\n0.114703 0.309677 0.432445 O\n0.250000 0.280049 0.378710 O\n0.750000 0.719951 0.621290 O\n",
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"formula_full": "Mo6 N4 O22",
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"updated_at": "2021-11-28T01:36:16.136000Z",
"spacegroup": 11
},
{
"id": "mp-1019730",
"created_at": "2022-09-04T14:43:25.028381Z",
"structure_string": "Eu4 Zn4 B20 O40\n1.0\n7.673886 0.000000 0.000000\n0.000000 8.782955 0.000000\n0.000000 8.358445 9.501196\nEu Zn B O\n4 4 20 40\ndirect\n0.683507 0.049520 0.261160 Eu\n0.816493 0.049520 0.761160 Eu\n0.316493 0.950480 0.738840 Eu\n0.183507 0.950480 0.238840 Eu\n0.588995 0.517407 0.875127 Zn\n0.911005 0.517407 0.375127 Zn\n0.411005 0.482593 0.124873 Zn\n0.088995 0.482593 0.624873 Zn\n0.825174 0.909945 0.105065 B\n0.674826 0.909945 0.605065 B\n0.174826 0.090055 0.894935 B\n0.325174 0.090055 0.394935 B\n0.600125 0.847084 0.998165 B\n0.899875 0.847084 0.498165 B\n0.399875 0.152916 0.001835 B\n0.100125 0.152916 0.501835 B\n0.576607 0.653904 0.259434 B\n0.923393 0.653904 0.759434 B\n0.423393 0.346096 0.740566 B\n0.076607 0.346096 0.240566 B\n0.314311 0.518129 0.413287 B\n0.185689 0.518129 0.913287 B\n0.685689 0.481871 0.586713 B\n0.814311 0.481871 0.086713 B\n0.531216 0.274583 0.445233 B\n0.968784 0.274583 0.945233 B\n0.468784 0.725417 0.554767 B\n0.031216 0.725417 0.054767 B\n0.893516 0.089149 0.080239 O\n0.606484 0.089149 0.580239 O\n0.106484 0.910851 0.919761 O\n0.393516 0.910851 0.419761 O\n0.970061 0.765501 0.147067 O\n0.529939 0.765501 0.647067 O\n0.029939 0.234499 0.852933 O\n0.470061 0.234499 0.352933 O\n0.726230 0.973993 0.982635 O\n0.773770 0.973993 0.482635 O\n0.273770 0.026007 0.017365 O\n0.226230 0.026007 0.517365 O\n0.549560 0.883736 0.880631 O\n0.950440 0.883736 0.380631 O\n0.450440 0.116264 0.119369 O\n0.049560 0.116264 0.619369 O\n0.534135 0.687503 0.129046 O\n0.965865 0.687503 0.629046 O\n0.465865 0.312497 0.870954 O\n0.034135 0.312497 0.370954 O\n0.710241 0.798806 0.230721 O\n0.789759 0.798806 0.730721 O\n0.289759 0.201194 0.769279 O\n0.210241 0.201194 0.269279 O\n0.413018 0.680798 0.305879 O\n0.086982 0.680798 0.805879 O\n0.586982 0.319202 0.694121 O\n0.913018 0.319202 0.194121 O\n0.153661 0.569235 0.432478 O\n0.346339 0.569235 0.932478 O\n0.846339 0.430765 0.567522 O\n0.653661 0.430765 0.067522 O\n0.374625 0.323487 0.490585 O\n0.125375 0.323487 0.990585 O\n0.625375 0.676513 0.509415 O\n0.874625 0.676513 0.009415 O\n0.649726 0.449033 0.365481 O\n0.850274 0.449033 0.865481 O\n0.350274 0.550967 0.634519 O\n0.149726 0.550967 0.134519 O\n",
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"spacegroup": 14
}
]
}