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{
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"structure_string": "Ba4 Si8 B8 O32\n1.0\n8.267050 0.000000 0.000000\n0.000000 8.312793 0.000000\n0.000000 0.000000 9.159513\nBa Si B O\n4 8 8 32\ndirect\n0.750000 0.608435 0.918650 Ba\n0.250000 0.391565 0.081350 Ba\n0.750000 0.108435 0.581350 Ba\n0.250000 0.891565 0.418650 Ba\n0.434577 0.925688 0.810912 Si\n0.065423 0.925688 0.810912 Si\n0.934577 0.074312 0.189088 Si\n0.565423 0.074312 0.189088 Si\n0.565423 0.574312 0.310912 Si\n0.934577 0.574312 0.310912 Si\n0.434577 0.425688 0.689088 Si\n0.065423 0.425688 0.689088 Si\n0.914015 0.225736 0.909692 B\n0.085985 0.274264 0.409692 B\n0.414015 0.774264 0.090308 B\n0.914015 0.725736 0.590308 B\n0.414015 0.274264 0.409692 B\n0.585985 0.725736 0.590308 B\n0.085985 0.774264 0.090308 B\n0.585985 0.225736 0.909692 B\n0.750000 0.785721 0.618636 O\n0.250000 0.714279 0.118636 O\n0.971227 0.648256 0.148159 O\n0.956428 0.215732 0.067001 O\n0.063742 0.929106 0.165095 O\n0.971227 0.148256 0.351841 O\n0.750000 0.501538 0.310101 O\n0.028773 0.351744 0.851841 O\n0.471227 0.351744 0.851841 O\n0.936258 0.070894 0.834905 O\n0.028773 0.851744 0.648159 O\n0.543572 0.215732 0.067001 O\n0.250000 0.214279 0.381364 O\n0.456428 0.284268 0.567001 O\n0.063742 0.429106 0.334905 O\n0.436258 0.929106 0.165095 O\n0.528773 0.148256 0.351841 O\n0.563742 0.570894 0.665095 O\n0.750000 0.285721 0.881364 O\n0.043572 0.284268 0.567001 O\n0.563742 0.070894 0.834905 O\n0.750000 0.001538 0.189899 O\n0.936258 0.570894 0.665095 O\n0.456428 0.784268 0.932999 O\n0.250000 0.998462 0.810101 O\n0.043572 0.784268 0.932999 O\n0.436258 0.429106 0.334905 O\n0.956428 0.715732 0.432999 O\n0.471227 0.851744 0.648159 O\n0.528773 0.648256 0.148159 O\n0.250000 0.498462 0.689899 O\n0.543572 0.715732 0.432999 O\n",
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{
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"created_at": "2022-09-04T14:39:18.135399Z",
"structure_string": "Ba4 Cu2 F12\n1.0\n2.968154 -8.009896 0.000000\n2.968154 8.009896 0.000000\n0.000000 0.000000 6.068655\nBa Cu F\n4 2 12\ndirect\n0.348890 0.651110 0.500000 Ba\n0.151110 0.848890 0.000000 Ba\n0.651110 0.348890 0.500000 Ba\n0.848890 0.151110 0.000000 Ba\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.118611 0.881389 0.500000 F\n0.381389 0.618611 0.000000 F\n0.881389 0.118611 0.500000 F\n0.618611 0.381389 0.000000 F\n0.288905 0.288905 0.657170 F\n0.211095 0.211095 0.157170 F\n0.002214 0.502214 0.250000 F\n0.497786 0.997786 0.750000 F\n0.997786 0.497786 0.750000 F\n0.502214 0.002214 0.250000 F\n0.711095 0.711095 0.342830 F\n0.788905 0.788905 0.842830 F\n",
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{
"id": "mp-505434",
"created_at": "2022-09-04T14:39:18.138105Z",
"structure_string": "Eu4 Ta8 O24\n1.0\n5.560732 0.000000 0.000000\n0.000000 7.700771 0.000000\n0.000000 0.000000 11.217383\nEu Ta O\n4 8 24\ndirect\n0.456280 0.750000 0.042223 Eu\n0.956280 0.250000 0.457777 Eu\n0.543720 0.250000 0.957777 Eu\n0.043720 0.750000 0.542223 Eu\n0.960292 0.003748 0.141330 Ta\n0.460292 0.996252 0.358670 Ta\n0.039708 0.503748 0.858670 Ta\n0.539708 0.496252 0.641330 Ta\n0.039708 0.996252 0.858670 Ta\n0.539708 0.003748 0.641330 Ta\n0.960292 0.496252 0.141330 Ta\n0.460292 0.503748 0.358670 Ta\n0.776257 0.963290 0.976471 O\n0.276257 0.036710 0.523529 O\n0.223743 0.463290 0.023529 O\n0.723743 0.536710 0.476471 O\n0.223743 0.036710 0.023529 O\n0.723743 0.963290 0.476471 O\n0.776257 0.536710 0.976471 O\n0.276257 0.463290 0.523529 O\n0.634817 0.948788 0.213022 O\n0.134817 0.051212 0.286978 O\n0.365183 0.448788 0.786978 O\n0.865183 0.551212 0.713022 O\n0.365183 0.051212 0.786978 O\n0.865183 0.948788 0.713022 O\n0.634817 0.551212 0.213022 O\n0.134817 0.448788 0.286978 O\n0.038890 0.750000 0.145111 O\n0.538890 0.250000 0.354889 O\n0.961110 0.250000 0.854889 O\n0.461110 0.750000 0.645111 O\n0.358470 0.750000 0.373557 O\n0.858470 0.250000 0.126443 O\n0.641530 0.250000 0.626443 O\n0.141530 0.750000 0.873557 O\n",
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"elements": [
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"spacegroup": 62
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{
"id": "mp-28990",
"created_at": "2022-09-04T14:39:22.494735Z",
"structure_string": "Bi8 Te16 O44\n1.0\n8.125776 0.000000 0.000000\n0.000000 7.077711 0.000000\n0.000000 5.826901 19.176727\nBi Te O\n8 16 44\ndirect\n0.388326 0.340739 0.583427 Bi\n0.888326 0.659261 0.916573 Bi\n0.611674 0.659261 0.416573 Bi\n0.111674 0.340739 0.083427 Bi\n0.382444 0.850161 0.078145 Bi\n0.882444 0.149839 0.421855 Bi\n0.617556 0.149839 0.921855 Bi\n0.117556 0.850161 0.578145 Bi\n0.353173 0.185060 0.429255 Te\n0.853173 0.814940 0.070745 Te\n0.646827 0.814940 0.570745 Te\n0.146827 0.185060 0.929255 Te\n0.411859 0.514696 0.739604 Te\n0.911859 0.485304 0.760396 Te\n0.588141 0.485304 0.260396 Te\n0.088141 0.514696 0.239604 Te\n0.376359 0.666880 0.926574 Te\n0.876359 0.333120 0.573426 Te\n0.623641 0.333120 0.073426 Te\n0.123641 0.666880 0.426574 Te\n0.339317 0.964456 0.252865 Te\n0.839317 0.035544 0.247135 Te\n0.660683 0.035544 0.747135 Te\n0.160683 0.964456 0.752865 Te\n0.274192 0.533094 0.661552 O\n0.774192 0.466906 0.838448 O\n0.725808 0.466906 0.338448 O\n0.225808 0.533094 0.161552 O\n0.398339 0.374875 0.311951 O\n0.898339 0.625125 0.188049 O\n0.601661 0.625125 0.688049 O\n0.101661 0.374875 0.811951 O\n0.476246 0.370211 0.463982 O\n0.976246 0.629789 0.036018 O\n0.523754 0.629789 0.536018 O\n0.023754 0.370211 0.963982 O\n0.334203 0.767652 0.392204 O\n0.834203 0.232348 0.107796 O\n0.665797 0.232348 0.607796 O\n0.165797 0.767652 0.892204 O\n0.473130 0.208192 0.732963 O\n0.421713 0.906883 0.958086 O\n0.578287 0.093117 0.041914 O\n0.078287 0.906883 0.458086 O\n0.343738 0.789883 0.752230 O\n0.843738 0.210117 0.747770 O\n0.656262 0.210117 0.247770 O\n0.156262 0.789883 0.252230 O\n0.172250 0.539094 0.523039 O\n0.672250 0.460906 0.976961 O\n0.827750 0.460906 0.476961 O\n0.327750 0.539094 0.023039 O\n0.176098 0.058461 0.032228 O\n0.676098 0.941539 0.467772 O\n0.823902 0.941539 0.967772 O\n0.323902 0.058461 0.532228 O\n0.152110 0.329423 0.415375 O\n0.652110 0.670577 0.084625 O\n0.847890 0.670577 0.584625 O\n0.347890 0.329423 0.915375 O\n0.145228 0.060768 0.653973 O\n0.645228 0.939232 0.846027 O\n0.854772 0.939232 0.346027 O\n0.354772 0.060768 0.153973 O\n0.026870 0.208192 0.232963 O\n0.526870 0.791808 0.267037 O\n0.973130 0.791808 0.767037 O\n0.921713 0.093117 0.541914 O\n",
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"density": 6.6509750522722175,
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"volume": 1102.8898939185094,
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"formula_full": "Bi8 Te16 O44",
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:39:18.138051Z",
"structure_string": "Ba8 Hg4 S12\n1.0\n4.408637 0.000000 0.000000\n0.000000 9.068369 0.000000\n0.000000 0.000000 17.537967\nBa Hg S\n8 4 12\ndirect\n0.250000 0.759943 0.539340 Ba\n0.250000 0.922155 0.283849 Ba\n0.750000 0.577845 0.783849 Ba\n0.250000 0.422155 0.216151 Ba\n0.250000 0.259943 0.960660 Ba\n0.750000 0.740057 0.039340 Ba\n0.750000 0.240057 0.460660 Ba\n0.750000 0.077845 0.716151 Ba\n0.750000 0.123800 0.133027 Hg\n0.250000 0.876200 0.866973 Hg\n0.750000 0.623800 0.366973 Hg\n0.250000 0.376200 0.633027 Hg\n0.250000 0.314529 0.777712 S\n0.750000 0.685471 0.222288 S\n0.250000 0.814529 0.722288 S\n0.750000 0.185471 0.277712 S\n0.250000 0.483485 0.403758 S\n0.750000 0.516515 0.596242 S\n0.250000 0.983485 0.096242 S\n0.750000 0.016515 0.903758 S\n0.250000 0.117563 0.571750 S\n0.750000 0.382437 0.071750 S\n0.250000 0.617563 0.928250 S\n0.750000 0.882437 0.428250 S\n",
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{
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"structure_string": "Cs3 B12 H12 Br1\n1.0\n5.045795 -5.316706 0.000000\n5.045795 5.316706 0.000000\n-0.556367 0.000000 7.308752\nCs B H Br\n3 12 12 1\ndirect\n0.500000 0.500000 0.000000 Cs\n0.500000 0.000000 0.500000 Cs\n0.000000 0.500000 0.500000 Cs\n0.776411 0.943696 0.943696 B\n0.943696 0.943696 0.776411 B\n0.943696 0.776411 0.943696 B\n0.056304 0.223589 0.056304 B\n0.223589 0.056304 0.056304 B\n0.056304 0.056304 0.223589 B\n0.845993 0.116818 0.116818 B\n0.116818 0.116818 0.845993 B\n0.116818 0.845993 0.116818 B\n0.883182 0.154007 0.883182 B\n0.154007 0.883182 0.883182 B\n0.883182 0.883182 0.154007 B\n0.382815 0.095533 0.095533 H\n0.095533 0.095533 0.382815 H\n0.095533 0.382815 0.095533 H\n0.904467 0.617185 0.904467 H\n0.617185 0.904467 0.904467 H\n0.904467 0.904467 0.617185 H\n0.737062 0.200729 0.200729 H\n0.200729 0.200729 0.737062 H\n0.200729 0.737062 0.200729 H\n0.799271 0.262938 0.799271 H\n0.262938 0.799271 0.799271 H\n0.799271 0.799271 0.262938 H\n0.500000 0.500000 0.500000 Br\n",
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{
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}