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{
"id": "mp-1199829",
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"structure_string": "Al4 H60 Br12 N20\n1.0\n7.027941 0.000000 0.000000\n0.000000 11.081626 0.000000\n0.000000 0.000000 14.097730\nAl H Br N\n4 60 12 20\ndirect\n0.825183 0.750000 0.108620 Al\n0.674817 0.750000 0.608620 Al\n0.174817 0.250000 0.891380 Al\n0.325182 0.250000 0.391380 Al\n0.980646 0.750000 0.277123 H\n0.519354 0.750000 0.777123 H\n0.019354 0.250000 0.722877 H\n0.480646 0.250000 0.222877 H\n0.124708 0.675243 0.206491 H\n0.375292 0.824757 0.706491 H\n0.875292 0.175243 0.793509 H\n0.624708 0.324757 0.293509 H\n0.875292 0.324757 0.793509 H\n0.624708 0.175243 0.293509 H\n0.124708 0.824757 0.206491 H\n0.375292 0.675243 0.706491 H\n0.466852 0.750000 0.045279 H\n0.033148 0.750000 0.545279 H\n0.533148 0.250000 0.954721 H\n0.966852 0.250000 0.454721 H\n0.896915 0.675751 0.470695 H\n0.603085 0.824249 0.970695 H\n0.103085 0.175751 0.529305 H\n0.396915 0.324249 0.029305 H\n0.103085 0.324249 0.529305 H\n0.396915 0.175751 0.029305 H\n0.896915 0.824249 0.470695 H\n0.603085 0.675751 0.970695 H\n0.673432 0.750000 0.284262 H\n0.826568 0.750000 0.784262 H\n0.326568 0.250000 0.715738 H\n0.173432 0.250000 0.215738 H\n0.536883 0.675373 0.210471 H\n0.963117 0.824627 0.710471 H\n0.463117 0.175373 0.789529 H\n0.036883 0.324627 0.289529 H\n0.463117 0.324627 0.789529 H\n0.036883 0.175373 0.289529 H\n0.536883 0.824627 0.210471 H\n0.963117 0.675373 0.710471 H\n0.757531 0.525236 0.059355 H\n0.742469 0.974764 0.559355 H\n0.242469 0.025236 0.940645 H\n0.257531 0.474764 0.440645 H\n0.242469 0.474764 0.940645 H\n0.257531 0.025236 0.440645 H\n0.757531 0.974764 0.059355 H\n0.742469 0.525236 0.559355 H\n0.968401 0.533901 0.110012 H\n0.531599 0.966099 0.610012 H\n0.031599 0.033901 0.889988 H\n0.468401 0.466099 0.389988 H\n0.031599 0.466099 0.889988 H\n0.468401 0.033901 0.389988 H\n0.968401 0.966099 0.110012 H\n0.531599 0.533901 0.610012 H\n0.776576 0.535160 0.175868 H\n0.723424 0.964840 0.675868 H\n0.223424 0.035160 0.824132 H\n0.276576 0.464840 0.324132 H\n0.223424 0.464840 0.824132 H\n0.276576 0.035160 0.324132 H\n0.776576 0.964840 0.175868 H\n0.723424 0.535160 0.675868 H\n0.441537 0.750000 0.473270 Br\n0.058463 0.750000 0.973270 Br\n0.558463 0.250000 0.526730 Br\n0.941537 0.250000 0.026730 Br\n0.839229 0.501878 0.353941 Br\n0.660771 0.998122 0.853941 Br\n0.160771 0.001878 0.646059 Br\n0.339229 0.498122 0.146059 Br\n0.160771 0.498122 0.646059 Br\n0.339229 0.001878 0.146059 Br\n0.839229 0.998122 0.353941 Br\n0.660771 0.501878 0.853941 Br\n0.037475 0.750000 0.210235 N\n0.462525 0.750000 0.710235 N\n0.962525 0.250000 0.789765 N\n0.537475 0.250000 0.289765 N\n0.600264 0.750000 0.014942 N\n0.899736 0.750000 0.514942 N\n0.399736 0.250000 0.985058 N\n0.100264 0.250000 0.485058 N\n0.624216 0.750000 0.215567 N\n0.875784 0.750000 0.715567 N\n0.375784 0.250000 0.784433 N\n0.124216 0.250000 0.284433 N\n0.831478 0.567210 0.112908 N\n0.668522 0.932790 0.612908 N\n0.168522 0.067210 0.887092 N\n0.331478 0.432790 0.387092 N\n0.168522 0.432790 0.887092 N\n0.331478 0.067210 0.387092 N\n0.831478 0.932790 0.112908 N\n0.668522 0.567210 0.612908 N\n",
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"formula_full": "Al4 H60 Br12 N20",
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{
"id": "mp-669722",
"created_at": "2022-09-04T14:40:56.097849Z",
"structure_string": "Nd4 Sn16 Rh8\n1.0\n4.525941 0.000000 0.000000\n0.000000 7.258092 0.000000\n0.000000 0.000000 18.707040\nNd Sn Rh\n4 16 8\ndirect\n0.250000 0.002425 0.858211 Nd\n0.750000 0.997575 0.141789 Nd\n0.750000 0.502425 0.641789 Nd\n0.250000 0.497575 0.358211 Nd\n0.250000 0.277518 0.194700 Sn\n0.750000 0.983347 0.568208 Sn\n0.750000 0.302088 0.817903 Sn\n0.250000 0.134704 0.031482 Sn\n0.750000 0.197912 0.317903 Sn\n0.250000 0.483347 0.931792 Sn\n0.750000 0.865296 0.968518 Sn\n0.250000 0.365296 0.531482 Sn\n0.250000 0.697912 0.182097 Sn\n0.750000 0.516653 0.068208 Sn\n0.750000 0.722482 0.805300 Sn\n0.250000 0.016653 0.431792 Sn\n0.750000 0.777518 0.305300 Sn\n0.750000 0.634704 0.468518 Sn\n0.250000 0.222482 0.694700 Sn\n0.250000 0.802088 0.682097 Sn\n0.250000 0.517343 0.786211 Rh\n0.250000 0.750211 0.035003 Rh\n0.750000 0.250211 0.464997 Rh\n0.250000 0.982657 0.286211 Rh\n0.250000 0.749789 0.535003 Rh\n0.750000 0.249789 0.964997 Rh\n0.750000 0.017343 0.713789 Rh\n0.750000 0.482657 0.213789 Rh\n",
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{
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"created_at": "2022-09-04T14:40:56.102329Z",
"structure_string": "Mn6 O2 F10\n1.0\n3.538257 -10.176750 0.000000\n3.538257 10.176750 0.000000\n0.000000 0.000000 3.245860\nMn O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.172476 0.827524 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.347853 0.652147 0.000000 Mn\n0.652147 0.347853 0.000000 Mn\n0.827524 0.172476 0.500000 Mn\n0.593907 0.406093 0.500000 O\n0.406093 0.593907 0.500000 O\n0.066589 0.933411 0.500000 F\n0.307982 0.307982 0.000000 F\n0.364313 0.027171 0.000000 F\n0.692018 0.692018 0.000000 F\n0.027171 0.364313 0.000000 F\n0.277949 0.722051 0.500000 F\n0.722051 0.277949 0.500000 F\n0.635687 0.972829 0.000000 F\n0.972829 0.635687 0.000000 F\n0.933411 0.066589 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:40:56.104922Z",
"structure_string": "Y2 Ni4 B4\n1.0\n2.643710 4.216980 0.000000\n-2.643710 4.216980 0.000000\n0.000000 4.152052 5.489149\nY Ni B\n2 4 4\ndirect\n0.117622 0.882378 0.250000 Y\n0.882378 0.117622 0.750000 Y\n0.466524 0.277881 0.201332 Ni\n0.722119 0.533476 0.298668 Ni\n0.533476 0.722119 0.798668 Ni\n0.277881 0.466524 0.701332 Ni\n0.155306 0.503932 0.023580 B\n0.496068 0.844694 0.476420 B\n0.844694 0.496068 0.976420 B\n0.503932 0.155306 0.523580 B\n",
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{
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"structure_string": "S14 N12 O16\n1.0\n12.149053 0.000000 0.000000\n0.000000 12.149053 0.000000\n0.000000 0.000000 5.171078\nS N O\n14 12 16\ndirect\n0.500000 0.000000 0.403549 S\n0.538024 0.211412 0.115694 S\n0.461976 0.788588 0.115694 S\n0.211412 0.461976 0.884306 S\n0.788588 0.538024 0.884306 S\n0.711412 0.038024 0.115694 S\n0.961976 0.711412 0.884306 S\n0.038024 0.288588 0.884306 S\n0.288588 0.961976 0.115694 S\n0.000000 0.500000 0.596451 S\n0.244550 0.744550 0.297230 S\n0.255450 0.244550 0.702770 S\n0.744550 0.755450 0.702770 S\n0.755450 0.255450 0.297230 S\n0.634901 0.290343 0.242889 N\n0.209657 0.865099 0.242889 N\n0.421310 0.921310 0.207891 N\n0.078690 0.421310 0.792109 N\n0.921310 0.578690 0.792109 N\n0.578690 0.078690 0.207891 N\n0.365099 0.709657 0.242889 N\n0.290343 0.365099 0.757111 N\n0.709657 0.634901 0.757111 N\n0.790343 0.134901 0.242889 N\n0.865099 0.790343 0.757111 N\n0.134901 0.209657 0.757111 N\n0.545407 0.219364 0.839529 O\n0.266238 0.062719 0.247380 O\n0.437281 0.233762 0.247380 O\n0.937281 0.266238 0.752620 O\n0.062719 0.733762 0.752620 O\n0.733762 0.937281 0.247380 O\n0.766238 0.437281 0.752620 O\n0.233762 0.562719 0.752620 O\n0.562719 0.766238 0.247380 O\n0.219364 0.454593 0.160471 O\n0.280636 0.954593 0.839529 O\n0.045407 0.280636 0.160471 O\n0.954593 0.719364 0.160471 O\n0.719364 0.045407 0.839529 O\n0.780636 0.545407 0.160471 O\n0.454593 0.780636 0.839529 O\n",
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{
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"structure_string": "Cu4 Se2\n1.0\n4.071816 0.000000 0.000000\n0.000000 4.137600 0.000000\n0.000000 0.000000 6.013966\nCu Se\n4 2\ndirect\n0.125198 0.500000 0.559282 Cu\n0.509024 0.000000 0.996163 Cu\n0.009024 0.500000 0.003837 Cu\n0.625198 0.000000 0.440718 Cu\n0.989778 0.000000 0.756343 Se\n0.489778 0.500000 0.243657 Se\n",
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{
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"structure_string": "Ca1 Al2 F10\n1.0\n3.252277 4.499199 0.000000\n-3.252277 4.499199 0.000000\n0.000000 3.190863 6.525860\nCa Al F\n1 2 10\ndirect\n0.539868 0.460132 0.000000 Ca\n0.016479 0.969380 0.751824 Al\n0.030620 0.983521 0.248176 Al\n0.144287 0.278640 0.627305 F\n0.721360 0.855713 0.372695 F\n0.802481 0.750258 0.877892 F\n0.249742 0.197519 0.122108 F\n0.943998 0.056002 0.000000 F\n0.062880 0.937120 0.500000 F\n0.752596 0.276562 0.703819 F\n0.723438 0.247404 0.296181 F\n0.313523 0.757273 0.781922 F\n0.242727 0.686477 0.218078 F\n",
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{
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"structure_string": "Li10 Nb10 O30\n1.0\n5.249953 0.000000 0.000000\n-2.619354 4.930852 0.000000\n-0.006297 -2.048778 21.629890\nLi Nb O\n10 10 30\ndirect\n0.308388 0.618118 0.045558 Li\n0.807336 0.614451 0.258669 Li\n0.006970 0.013907 0.143903 Li\n0.207782 0.414659 0.457731 Li\n0.507166 0.015474 0.357865 Li\n0.607972 0.214928 0.657900 Li\n0.906918 0.814834 0.557940 Li\n0.007808 0.015347 0.857981 Li\n0.307152 0.615068 0.757753 Li\n0.705068 0.409207 0.958083 Li\n0.018398 0.028823 0.003192 Nb\n0.418557 0.833216 0.203577 Nb\n0.706333 0.420275 0.104908 Nb\n0.822017 0.645604 0.402920 Nb\n0.122669 0.243822 0.302300 Nb\n0.223043 0.447076 0.603075 Nb\n0.523902 0.046890 0.503034 Nb\n0.621805 0.244865 0.802797 Nb\n0.923875 0.846659 0.703025 Nb\n0.320446 0.641107 0.902203 Nb\n0.423096 0.094945 0.149019 O\n0.422999 0.233781 0.025025 O\n0.905031 0.178724 0.074767 O\n0.507665 0.629626 0.125591 O\n0.977144 0.586188 0.174539 O\n0.823110 0.892881 0.347471 O\n0.964180 0.691091 0.048857 O\n0.823647 0.009097 0.225655 O\n0.288391 0.965557 0.274592 O\n0.888748 0.412490 0.325288 O\n0.376951 0.363353 0.374232 O\n0.222660 0.692988 0.547530 O\n0.375295 0.500734 0.249485 O\n0.224434 0.813617 0.425618 O\n0.686567 0.764122 0.474636 O\n0.288681 0.214168 0.525694 O\n0.777792 0.164404 0.574788 O\n0.622665 0.492609 0.747433 O\n0.769924 0.292631 0.447421 O\n0.625381 0.614100 0.625691 O\n0.086596 0.564372 0.674834 O\n0.688577 0.014080 0.725429 O\n0.177974 0.964245 0.774680 O\n0.025502 0.293180 0.949732 O\n0.170222 0.092656 0.647540 O\n0.024568 0.411684 0.825227 O\n0.485774 0.362552 0.874208 O\n0.087574 0.812478 0.924478 O\n0.573178 0.757266 0.974003 O\n0.569870 0.891652 0.847525 O\n",
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