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{
"id": "mp-559551",
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{
"id": "mp-1201956",
"created_at": "2022-09-04T14:42:58.956269Z",
"structure_string": "Cd8 Si8 O18\n1.0\n6.120025 0.000000 -0.528428\n0.000000 8.196778 0.000000\n-0.447710 0.000000 11.174471\nCd Si O\n8 8 18\ndirect\n0.787889 0.828699 0.852054 Cd\n0.212111 0.328699 0.647946 Cd\n0.212111 0.171301 0.147946 Cd\n0.787889 0.671301 0.352054 Cd\n0.733384 0.388100 0.915243 Cd\n0.266616 0.888100 0.584757 Cd\n0.266616 0.611900 0.084757 Cd\n0.733384 0.111900 0.415243 Cd\n0.693431 0.054509 0.108874 Si\n0.306569 0.554509 0.391126 Si\n0.306569 0.945491 0.891126 Si\n0.693431 0.445491 0.608874 Si\n0.855945 0.685673 0.123239 Si\n0.144055 0.185673 0.376761 Si\n0.144055 0.314327 0.876761 Si\n0.855945 0.814327 0.623239 Si\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.858161 0.183743 0.055516 O\n0.141839 0.683743 0.444484 O\n0.141839 0.816257 0.944484 O\n0.858161 0.316257 0.555516 O\n0.836877 0.886174 0.146892 O\n0.163123 0.386174 0.353108 O\n0.163123 0.113826 0.853108 O\n0.836877 0.613826 0.646892 O\n0.570523 0.116413 0.221516 O\n0.429477 0.616413 0.278484 O\n0.429477 0.883587 0.778484 O\n0.570523 0.383587 0.721516 O\n0.314408 0.361963 0.997822 O\n0.685592 0.861963 0.502178 O\n0.685592 0.638037 0.002178 O\n0.314408 0.138037 0.497822 O\n",
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{
"id": "mp-530879",
"created_at": "2022-09-04T14:45:57.729620Z",
"structure_string": "Ba12 Ti12 O27\n1.0\n4.009588 5.757594 0.000000\n-4.009588 5.757594 0.000000\n0.000000 0.488133 17.295755\nBa Ti O\n12 12 27\ndirect\n0.877595 0.374419 0.582380 Ba\n0.374419 0.877595 0.582380 Ba\n0.120450 0.626647 0.750901 Ba\n0.873898 0.378885 0.915850 Ba\n0.621115 0.126102 0.084150 Ba\n0.373353 0.879550 0.249099 Ba\n0.122405 0.625581 0.417620 Ba\n0.626647 0.120450 0.750901 Ba\n0.378885 0.873898 0.915850 Ba\n0.126102 0.621115 0.084150 Ba\n0.879550 0.373353 0.249099 Ba\n0.625581 0.122405 0.417620 Ba\n0.615544 0.615544 0.745278 Ti\n0.375301 0.375301 0.917535 Ti\n0.116271 0.116271 0.078126 Ti\n0.873773 0.873773 0.250068 Ti\n0.616029 0.616029 0.412036 Ti\n0.126227 0.126227 0.749932 Ti\n0.384456 0.384456 0.254722 Ti\n0.883729 0.883729 0.921874 Ti\n0.624699 0.624699 0.082465 Ti\n0.126489 0.126489 0.416886 Ti\n0.873511 0.873511 0.583114 Ti\n0.383971 0.383971 0.587964 Ti\n0.120414 0.624332 0.581723 O\n0.878158 0.377275 0.752299 O\n0.620598 0.124013 0.914876 O\n0.379402 0.875987 0.085124 O\n0.753364 0.753364 0.667968 O\n0.502414 0.502414 0.835770 O\n0.002114 0.002114 0.168925 O\n0.753771 0.753771 0.334113 O\n0.253199 0.253199 0.001424 O\n0.500000 0.500000 0.500000 O\n0.498946 0.498946 0.667478 O\n0.000000 0.000000 0.000000 O\n0.624332 0.120414 0.581723 O\n0.375668 0.879586 0.418277 O\n0.377275 0.878158 0.752299 O\n0.124013 0.620598 0.914876 O\n0.875987 0.379402 0.085124 O\n0.622725 0.121842 0.247701 O\n0.246229 0.246229 0.665887 O\n0.997886 0.997886 0.831075 O\n0.497586 0.497586 0.164230 O\n0.246636 0.246636 0.332032 O\n0.746801 0.746801 0.998576 O\n0.000000 0.000000 0.500000 O\n0.121842 0.622725 0.247701 O\n0.879586 0.375668 0.418277 O\n0.501054 0.501054 0.332522 O\n",
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{
"id": "mp-683991",
"created_at": "2022-09-04T14:46:41.662331Z",
"structure_string": "Cu16 Bi16 S36\n1.0\n3.929840 0.000000 0.000000\n0.000000 11.308144 0.000000\n0.000000 0.000000 33.331395\nCu Bi S\n16 16 36\ndirect\n0.250000 0.422356 0.302737 Cu\n0.750000 0.899117 0.012852 Cu\n0.750000 0.834236 0.306916 Cu\n0.250000 0.077644 0.802737 Cu\n0.750000 0.922356 0.197263 Cu\n0.250000 0.165764 0.693084 Cu\n0.250000 0.880895 0.358612 Cu\n0.250000 0.100883 0.987148 Cu\n0.750000 0.665764 0.806916 Cu\n0.750000 0.380895 0.141388 Cu\n0.750000 0.119105 0.641388 Cu\n0.250000 0.334236 0.193084 Cu\n0.750000 0.577644 0.697263 Cu\n0.750000 0.600883 0.512852 Cu\n0.250000 0.399117 0.487148 Cu\n0.250000 0.619105 0.858612 Cu\n0.750000 0.620859 0.967236 Bi\n0.750000 0.909510 0.908081 Bi\n0.750000 0.852330 0.723429 Bi\n0.250000 0.720363 0.111065 Bi\n0.750000 0.279637 0.888935 Bi\n0.750000 0.590490 0.408081 Bi\n0.250000 0.090490 0.091919 Bi\n0.250000 0.779637 0.611065 Bi\n0.250000 0.147670 0.276571 Bi\n0.250000 0.120859 0.532764 Bi\n0.750000 0.220363 0.388935 Bi\n0.250000 0.352330 0.776571 Bi\n0.250000 0.379141 0.032764 Bi\n0.750000 0.647670 0.223429 Bi\n0.250000 0.409510 0.591919 Bi\n0.750000 0.879141 0.467236 Bi\n0.250000 0.016326 0.737296 S\n0.750000 0.319344 0.316704 S\n0.250000 0.078119 0.351378 S\n0.250000 0.319812 0.111184 S\n0.250000 0.844888 0.977176 S\n0.750000 0.882011 0.081605 S\n0.750000 0.418113 0.654661 S\n0.250000 0.038906 0.451367 S\n0.750000 0.180656 0.816704 S\n0.250000 0.461094 0.951367 S\n0.750000 0.921881 0.648622 S\n0.750000 0.538906 0.048633 S\n0.250000 0.382011 0.418395 S\n0.750000 0.578119 0.148622 S\n0.750000 0.516326 0.762704 S\n0.250000 0.767864 0.807317 S\n0.750000 0.344888 0.522824 S\n0.750000 0.081887 0.154661 S\n0.250000 0.918113 0.845339 S\n0.750000 0.267864 0.692683 S\n0.750000 0.961094 0.548633 S\n0.750000 0.232136 0.192683 S\n0.750000 0.617989 0.581605 S\n0.750000 0.680188 0.888816 S\n0.250000 0.819344 0.183296 S\n0.250000 0.581887 0.345339 S\n0.750000 0.155112 0.022824 S\n0.250000 0.732136 0.307317 S\n0.250000 0.680656 0.683296 S\n0.250000 0.655112 0.477176 S\n0.250000 0.483674 0.237296 S\n0.750000 0.819812 0.388816 S\n0.250000 0.421881 0.851378 S\n0.250000 0.180188 0.611184 S\n0.750000 0.983674 0.262704 S\n0.250000 0.117989 0.918395 S\n",
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{
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"structure_string": "V8 S18 Br8\n1.0\n11.002488 0.000000 0.000000\n0.000000 11.002488 0.000000\n0.000000 0.000000 7.334430\nV S Br\n8 18 8\ndirect\n0.635201 0.135201 0.376533 V\n0.135201 0.635201 0.623467 V\n0.364799 0.864799 0.376533 V\n0.135201 0.364799 0.623467 V\n0.864799 0.635201 0.623467 V\n0.635201 0.864799 0.376533 V\n0.364799 0.135201 0.376533 V\n0.864799 0.364799 0.623467 V\n0.000000 0.288347 0.848929 S\n0.805003 0.000000 0.389134 S\n0.194997 0.000000 0.389134 S\n0.694997 0.500000 0.610866 S\n0.788347 0.500000 0.848929 S\n0.711653 0.000000 0.151071 S\n0.500000 0.000000 0.522987 S\n0.288347 0.000000 0.151071 S\n0.500000 0.305003 0.389134 S\n0.305003 0.500000 0.610866 S\n0.500000 0.788347 0.151071 S\n0.000000 0.805003 0.610866 S\n0.000000 0.500000 0.477013 S\n0.500000 0.694997 0.389134 S\n0.500000 0.211653 0.151071 S\n0.000000 0.194997 0.610866 S\n0.211653 0.500000 0.848929 S\n0.000000 0.711653 0.848929 S\n0.301188 0.801188 0.710089 Br\n0.801188 0.698812 0.289911 Br\n0.698812 0.198812 0.710089 Br\n0.801188 0.301188 0.289911 Br\n0.198812 0.301188 0.289911 Br\n0.301188 0.198812 0.710089 Br\n0.698812 0.801188 0.710089 Br\n0.198812 0.698812 0.289911 Br\n",
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{
"id": "mp-565679",
"created_at": "2022-09-04T14:44:13.751828Z",
"structure_string": "Hg16 Se16 O36\n1.0\n10.566293 0.000000 0.000000\n0.000000 9.975201 0.000000\n0.000000 9.142447 12.263899\nHg Se O\n16 16 36\ndirect\n0.718702 0.530864 0.428687 Hg\n0.281298 0.469136 0.571313 Hg\n0.709419 0.051896 0.715678 Hg\n0.454201 0.661962 0.796695 Hg\n0.209419 0.948104 0.784322 Hg\n0.954201 0.338038 0.703305 Hg\n0.545799 0.338038 0.203305 Hg\n0.590234 0.372226 0.737428 Hg\n0.290581 0.948104 0.284322 Hg\n0.045799 0.661962 0.296695 Hg\n0.790581 0.051896 0.215678 Hg\n0.781298 0.530864 0.928687 Hg\n0.090234 0.627774 0.762572 Hg\n0.409766 0.627774 0.262572 Hg\n0.218702 0.469136 0.071313 Hg\n0.909766 0.372226 0.237428 Hg\n0.755591 0.789537 0.659787 Se\n0.026211 0.266311 0.997604 Se\n0.244409 0.210463 0.340213 Se\n0.744409 0.789537 0.159787 Se\n0.973789 0.733689 0.002396 Se\n0.734321 0.155382 0.325917 Se\n0.007327 0.768020 0.474514 Se\n0.507327 0.231980 0.025486 Se\n0.992673 0.231980 0.525486 Se\n0.473789 0.266311 0.497604 Se\n0.765679 0.155382 0.825917 Se\n0.265679 0.844618 0.674083 Se\n0.234321 0.844618 0.174083 Se\n0.526211 0.733689 0.502396 Se\n0.255591 0.210463 0.840213 Se\n0.492673 0.768020 0.974514 Se\n0.966989 0.623262 0.611132 O\n0.072657 0.298612 0.592752 O\n0.816515 0.603709 0.269691 O\n0.183485 0.396291 0.730309 O\n0.064428 0.702425 0.923653 O\n0.935572 0.297575 0.076347 O\n0.329469 0.359158 0.482755 O\n0.375300 0.188633 0.775450 O\n0.316515 0.396291 0.230309 O\n0.541490 0.420281 0.366964 O\n0.683485 0.603709 0.769691 O\n0.855007 0.936808 0.141268 O\n0.662543 0.274282 0.035507 O\n0.033011 0.376738 0.388868 O\n0.337457 0.725718 0.964493 O\n0.572657 0.701388 0.907248 O\n0.162543 0.725718 0.464493 O\n0.466989 0.376738 0.888868 O\n0.427343 0.298612 0.092752 O\n0.829469 0.640842 0.017245 O\n0.435572 0.702425 0.423653 O\n0.170531 0.359158 0.982755 O\n0.564428 0.297575 0.576347 O\n0.124700 0.188633 0.275450 O\n0.644993 0.936808 0.641268 O\n0.875300 0.811367 0.724550 O\n0.144993 0.063192 0.858732 O\n0.927343 0.701388 0.407248 O\n0.458510 0.579719 0.633036 O\n0.624700 0.811367 0.224550 O\n0.670531 0.640842 0.517245 O\n0.041490 0.579719 0.133036 O\n0.355007 0.063192 0.358732 O\n0.837457 0.274282 0.535507 O\n0.533011 0.623262 0.111132 O\n0.958510 0.420281 0.866964 O\n",
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