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{
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{
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{
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"structure_string": "Y10 O8 F14\n1.0\n10.024375 0.000000 0.000000\n0.000000 7.827578 0.002388\n0.000000 -2.165357 6.510396\nY O F\n10 8 14\ndirect\n0.203691 0.220748 0.020972 Y\n0.160493 0.671057 0.939316 Y\n0.724819 0.367269 0.564635 Y\n0.347138 0.296767 0.514862 Y\n0.477992 0.950453 0.073251 Y\n0.652862 0.796767 0.514862 Y\n0.522008 0.450453 0.073251 Y\n0.275181 0.867269 0.564635 Y\n0.839507 0.171057 0.939316 Y\n0.796309 0.720748 0.020972 Y\n0.406535 0.000239 0.406053 O\n0.312111 0.454040 0.928080 O\n0.413398 0.239134 0.170090 O\n0.267388 0.921622 0.924069 O\n0.732612 0.421622 0.924069 O\n0.586602 0.739134 0.170090 O\n0.593465 0.500239 0.406053 O\n0.687889 0.954040 0.928080 O\n0.161229 0.248953 0.342259 F\n0.987744 0.859810 0.077561 F\n0.017766 0.025847 0.803031 F\n0.807642 0.217401 0.269736 F\n0.786375 0.649390 0.671360 F\n0.755404 0.086830 0.599473 F\n0.531651 0.300637 0.695252 F\n0.468349 0.800637 0.695252 F\n0.244596 0.586830 0.599473 F\n0.192358 0.717401 0.269736 F\n0.213625 0.149390 0.671360 F\n0.012256 0.359810 0.077561 F\n0.982234 0.525847 0.803031 F\n0.838771 0.748953 0.342259 F\n",
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{
"id": "mp-1217276",
"created_at": "2022-09-04T14:47:10.919597Z",
"structure_string": "Th2 Si3 Os1\n1.0\n-2.051471 2.101989 7.220117\n2.051471 -2.101989 7.220117\n2.051471 2.101989 -7.220117\nTh Si Os\n2 3 1\ndirect\n0.747608 0.247608 0.500000 Th\n0.002357 0.002357 0.000000 Th\n0.582684 0.582684 0.000000 Si\n0.331893 0.831893 0.500000 Si\n0.418096 0.418096 0.000000 Si\n0.167361 0.667361 0.500000 Os\n",
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{
"id": "mp-1147671",
"created_at": "2022-09-04T14:47:05.210872Z",
"structure_string": "Cu12 S12 Cl12\n1.0\n11.670241 0.000000 0.000000\n0.000000 7.900034 0.000000\n0.000000 2.756745 8.795907\nCu S Cl\n12 12 12\ndirect\n0.380492 0.101742 0.919272 Cu\n0.880492 0.898258 0.080728 Cu\n0.619508 0.898258 0.080728 Cu\n0.119508 0.101742 0.919272 Cu\n0.373028 0.417556 0.554241 Cu\n0.873028 0.582444 0.445759 Cu\n0.626972 0.582444 0.445759 Cu\n0.126972 0.417556 0.554241 Cu\n0.250000 0.851393 0.800371 Cu\n0.750000 0.148607 0.199629 Cu\n0.250000 0.164693 0.430289 Cu\n0.750000 0.835307 0.569711 Cu\n0.123944 0.971615 0.600615 S\n0.537821 0.853264 0.317341 S\n0.037821 0.146736 0.682659 S\n0.623944 0.028385 0.399385 S\n0.462179 0.146736 0.682659 S\n0.376056 0.971615 0.600615 S\n0.876056 0.028385 0.399385 S\n0.335927 0.406921 0.803708 S\n0.835927 0.593079 0.196292 S\n0.664073 0.593079 0.196292 S\n0.164073 0.406921 0.803708 S\n0.962179 0.853264 0.317341 S\n0.396893 0.364085 0.326566 Cl\n0.103107 0.364085 0.326566 Cl\n0.603107 0.635915 0.673434 Cl\n0.250000 0.658002 0.462634 Cl\n0.750000 0.341998 0.537366 Cl\n0.899281 0.206685 0.022949 Cl\n0.750000 0.909152 0.890111 Cl\n0.100719 0.793315 0.977051 Cl\n0.600719 0.206685 0.022949 Cl\n0.250000 0.090848 0.109889 Cl\n0.896893 0.635915 0.673434 Cl\n0.399281 0.793315 0.977051 Cl\n",
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{
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"structure_string": "Ga21 Ni5\n1.0\n0.000000 6.970482 7.015400\n4.283175 0.000000 7.015400\n4.283175 6.970482 0.000000\nGa Ni\n21 5\ndirect\n0.313593 0.006577 0.319288 Ga\n0.694062 0.305938 0.644147 Ga\n0.993423 0.686407 0.639458 Ga\n0.638346 0.997824 0.681018 Ga\n0.659745 0.706425 0.340255 Ga\n0.318982 0.317188 0.361654 Ga\n0.682812 0.681018 0.997824 Ga\n0.293575 0.340255 0.706425 Ga\n0.002176 0.361654 0.317188 Ga\n0.360542 0.319288 0.006577 Ga\n0.355853 0.644147 0.305938 Ga\n0.680712 0.639458 0.686407 Ga\n0.007012 0.992988 0.715018 Ga\n0.723802 0.023291 0.276198 Ga\n0.976709 0.276198 0.023291 Ga\n0.284982 0.715018 0.992988 Ga\n0.997219 0.002781 0.323406 Ga\n0.317844 0.998483 0.682156 Ga\n0.001517 0.682156 0.998483 Ga\n0.676594 0.323406 0.002781 Ga\n0.362843 0.637157 0.637157 Ga\n0.004384 0.325696 0.673919 Ni\n0.674304 0.995616 0.003999 Ni\n0.656887 0.343113 0.343113 Ni\n0.996001 0.673919 0.325696 Ni\n0.326081 0.003999 0.995616 Ni\n",
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{
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"structure_string": "Sn2 N2 F6\n1.0\n4.886769 -3.105600 0.000000\n4.886769 3.105600 0.000000\n2.913124 0.000000 5.003896\nSn N F\n2 2 6\ndirect\n0.870546 0.870546 0.870546 Sn\n0.129454 0.129454 0.129454 Sn\n0.617950 0.617950 0.617950 N\n0.382050 0.382050 0.382050 N\n0.031836 0.782483 0.503869 F\n0.782483 0.503869 0.031836 F\n0.503869 0.031836 0.782483 F\n0.968164 0.217517 0.496131 F\n0.217517 0.496131 0.968164 F\n0.496131 0.968164 0.217517 F\n",
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{
"id": "mp-505391",
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"structure_string": "Li6 Co1 Cl8\n1.0\n0.000000 5.148199 5.148199\n5.148199 0.000000 5.148199\n5.148199 5.148199 0.000000\nLi Co Cl\n6 1 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n0.237442 0.237442 0.762558 Cl\n0.237442 0.762558 0.762558 Cl\n0.762558 0.237442 0.237442 Cl\n0.237442 0.762558 0.237442 Cl\n0.762558 0.237442 0.762558 Cl\n0.762558 0.762558 0.237442 Cl\n",
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{
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"structure_string": "K4 Ga4 Ge4 S16\n1.0\n16.276182 0.000000 0.000000\n0.000000 6.998641 0.000000\n0.000000 2.662126 6.769575\nK Ga Ge S\n4 4 4 16\ndirect\n0.395892 0.975938 0.179081 K\n0.895892 0.024062 0.820919 K\n0.603683 0.520774 0.819448 K\n0.103683 0.479226 0.180552 K\n0.584442 0.165170 0.474741 Ga\n0.084442 0.834830 0.525259 Ga\n0.273899 0.594734 0.718305 Ga\n0.773899 0.405266 0.281695 Ga\n0.419762 0.336557 0.527864 Ge\n0.919762 0.663443 0.472136 Ge\n0.723912 0.908737 0.270843 Ge\n0.223912 0.091263 0.729157 Ge\n0.593986 0.887992 0.376137 S\n0.093986 0.112008 0.623863 S\n0.409967 0.605273 0.621718 S\n0.909967 0.394727 0.378282 S\n0.799292 0.774178 0.553025 S\n0.299292 0.225822 0.446975 S\n0.201915 0.727842 0.435185 S\n0.701915 0.272158 0.564815 S\n0.762272 0.225042 0.073161 S\n0.262272 0.774958 0.926839 S\n0.238501 0.266222 0.929323 S\n0.738501 0.733778 0.070677 S\n0.995643 0.908945 0.253938 S\n0.495643 0.091055 0.746062 S\n0.996832 0.590639 0.744548 S\n0.496832 0.409361 0.255452 S\n",
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{
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{
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"formula_full": "K2 N2 O6",
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{
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}