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{
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{
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"created_at": "2022-09-04T14:47:08.993342Z",
"structure_string": "Tl8 Cu4 I12\n1.0\n9.293237 0.000000 0.000000\n0.000000 9.619517 0.000000\n0.000000 0.000000 9.817440\nTl Cu I\n8 4 12\ndirect\n0.155646 0.740884 0.852226 Tl\n0.655646 0.759116 0.647774 Tl\n0.844354 0.740884 0.147774 Tl\n0.344354 0.759116 0.352226 Tl\n0.844354 0.259116 0.147774 Tl\n0.344354 0.240884 0.352226 Tl\n0.155646 0.259116 0.852226 Tl\n0.655646 0.240884 0.647774 Tl\n0.956446 0.000000 0.375648 Cu\n0.456446 0.500000 0.124352 Cu\n0.043554 0.000000 0.624352 Cu\n0.543554 0.500000 0.875648 Cu\n0.000000 0.755897 0.500000 I\n0.500000 0.744103 0.000000 I\n0.000000 0.244103 0.500000 I\n0.500000 0.255897 0.000000 I\n0.361802 0.500000 0.667737 I\n0.861802 0.000000 0.832263 I\n0.638198 0.500000 0.332263 I\n0.138198 0.000000 0.167737 I\n0.828843 0.500000 0.834796 I\n0.328843 0.000000 0.665204 I\n0.171157 0.500000 0.165204 I\n0.671157 0.000000 0.334796 I\n",
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{
"id": "mp-1183217",
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{
"id": "mp-569701",
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"structure_string": "Er2 Te6\n1.0\n2.049737 -14.357999 0.000000\n2.049737 14.357999 0.000000\n0.000000 0.000000 4.416301\nEr Te\n2 6\ndirect\n0.946360 0.053640 0.250000 Er\n0.053640 0.946360 0.750000 Er\n0.687229 0.312771 0.250000 Te\n0.554428 0.445572 0.250000 Te\n0.835865 0.164135 0.250000 Te\n0.445572 0.554428 0.750000 Te\n0.164135 0.835865 0.750000 Te\n0.312771 0.687229 0.750000 Te\n",
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{
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"structure_string": "Cu28 P4 S24\n1.0\n9.637410 0.000000 0.000000\n0.000000 9.637410 0.000000\n0.000000 0.000000 9.637410\nCu P S\n28 4 24\ndirect\n0.234594 0.926000 0.905735 Cu\n0.094265 0.734594 0.574000 Cu\n0.426000 0.594265 0.765406 Cu\n0.734594 0.574000 0.094265 Cu\n0.594265 0.765406 0.426000 Cu\n0.926000 0.905735 0.234594 Cu\n0.765406 0.426000 0.594265 Cu\n0.905735 0.234594 0.926000 Cu\n0.574000 0.094265 0.734594 Cu\n0.265406 0.074000 0.405735 Cu\n0.405735 0.265406 0.074000 Cu\n0.074000 0.405735 0.265406 Cu\n0.013389 0.777284 0.995025 Cu\n0.004975 0.513389 0.722716 Cu\n0.277284 0.504975 0.986611 Cu\n0.513389 0.722716 0.004975 Cu\n0.504975 0.986611 0.277284 Cu\n0.777284 0.995025 0.013389 Cu\n0.986611 0.277284 0.504975 Cu\n0.995025 0.013389 0.777284 Cu\n0.722716 0.004975 0.513389 Cu\n0.486611 0.222716 0.495025 Cu\n0.495025 0.486611 0.222716 Cu\n0.222716 0.495025 0.486611 Cu\n0.356401 0.856401 0.643599 Cu\n0.856401 0.643599 0.356401 Cu\n0.643599 0.356401 0.856401 Cu\n0.143599 0.143599 0.143599 Cu\n0.747240 0.247240 0.252760 P\n0.247240 0.252760 0.747240 P\n0.252760 0.747240 0.247240 P\n0.752760 0.752760 0.752760 P\n0.871689 0.371689 0.128311 S\n0.371689 0.128311 0.871689 S\n0.128311 0.871689 0.371689 S\n0.628311 0.628311 0.628311 S\n0.369525 0.870961 0.116592 S\n0.883408 0.869525 0.629039 S\n0.370961 0.383408 0.630475 S\n0.869525 0.629039 0.883408 S\n0.383408 0.630475 0.370961 S\n0.870961 0.116592 0.369525 S\n0.630475 0.370961 0.383408 S\n0.116592 0.369525 0.870961 S\n0.629039 0.883408 0.869525 S\n0.130475 0.129039 0.616592 S\n0.616592 0.130475 0.129039 S\n0.129039 0.616592 0.130475 S\n0.227520 0.727520 0.772480 S\n0.727520 0.772480 0.227520 S\n0.772480 0.227520 0.727520 S\n0.272480 0.272480 0.272480 S\n0.487329 0.987329 0.512671 S\n0.987329 0.512671 0.487329 S\n0.512671 0.487329 0.987329 S\n0.012671 0.012671 0.012671 S\n",
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{
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"structure_string": "Ca2 La2 Fe2 Cu2 O12\n1.0\n0.000095 5.524904 0.028956\n0.000355 0.041210 7.615068\n5.531363 0.000093 0.000261\nCa La Fe Cu O\n2 2 2 2 12\ndirect\n0.508780 0.250543 0.543292 Ca\n0.008821 0.750450 0.956683 Ca\n0.993982 0.249427 0.030723 La\n0.494101 0.749509 0.469203 La\n0.499311 0.500464 0.999852 Fe\n0.999278 0.000458 0.500113 Fe\n0.500294 0.999611 0.000876 Cu\n0.000397 0.499636 0.499077 Cu\n0.582288 0.755314 0.016727 O\n0.082134 0.255411 0.483225 O\n0.209636 0.958290 0.217889 O\n0.709641 0.458293 0.282208 O\n0.216999 0.542298 0.211598 O\n0.716970 0.042276 0.288337 O\n0.927927 0.744524 0.520906 O\n0.427824 0.244524 0.979198 O\n0.284356 0.536572 0.722999 O\n0.784295 0.036588 0.777032 O\n0.276429 0.962878 0.717585 O\n0.776530 0.462939 0.782475 O\n",
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{
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{
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{
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{
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"created_at": "2022-09-04T14:47:04.309525Z",
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"elements": [
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],
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"density": 4.215799025736772,
"density_atomic": 0.0680458849611246,
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"volume_molar": 8.850117480932932,
"formula_full": "Cr2 Ag2 O8",
"formula_reduced": "CrAgO4",
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{
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"created_at": "2022-09-04T14:47:13.332968Z",
"structure_string": "Ba2 Eu1 Cu2 Hg1 O7\n1.0\n3.881250 0.000000 0.000000\n0.000000 3.881250 0.000000\n0.000000 0.000000 12.900786\nBa Eu Cu Hg O\n2 1 2 1 7\ndirect\n0.500000 0.500000 0.200592 Ba\n0.500000 0.500000 0.799408 Ba\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.364412 Cu\n0.000000 0.000000 0.635588 Cu\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.163928 O\n0.000000 0.000000 0.836072 O\n0.000000 0.500000 0.382463 O\n0.000000 0.500000 0.617537 O\n0.500000 0.000000 0.382463 O\n0.500000 0.000000 0.617537 O\n0.500000 0.500000 0.000000 O\n",
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"chemical_system": "Ba-Cu-Eu-Hg-O",
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"volume": 194.33875054007814,
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"formula_full": "Ba2 Eu1 Cu2 Hg1 O7",
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"spacegroup": 123
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]
}