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{
"id": "mp-662919",
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"structure_string": "Sb8 Te8 Se16 F48\n1.0\n9.638731 0.000000 0.000000\n0.000000 12.680363 0.000000\n0.000000 0.000000 15.109971\nSb Te Se F\n8 8 16 48\ndirect\n0.759767 0.451420 0.116362 Sb\n0.740233 0.548580 0.616362 Sb\n0.900979 0.259532 0.861349 Sb\n0.400979 0.240468 0.138651 Sb\n0.599021 0.740468 0.361349 Sb\n0.259767 0.048580 0.883638 Sb\n0.240233 0.951420 0.383638 Sb\n0.099021 0.759532 0.638651 Sb\n0.606786 0.093800 0.048269 Te\n0.393214 0.593800 0.451731 Te\n0.820351 0.999974 0.192906 Te\n0.320351 0.500026 0.807094 Te\n0.893214 0.906200 0.548269 Te\n0.179649 0.499974 0.307094 Te\n0.679649 0.000026 0.692906 Te\n0.106786 0.406200 0.951731 Te\n0.327669 0.328814 0.325241 Se\n0.158751 0.104269 0.160070 Se\n0.473790 0.897105 0.096363 Se\n0.435332 0.396735 0.548031 Se\n0.064668 0.603265 0.048031 Se\n0.672331 0.828814 0.174759 Se\n0.841249 0.604269 0.339930 Se\n0.172331 0.671186 0.825241 Se\n0.658751 0.395731 0.839930 Se\n0.526210 0.397105 0.403637 Se\n0.564668 0.896735 0.951969 Se\n0.935332 0.103265 0.451969 Se\n0.026210 0.102895 0.596363 Se\n0.827669 0.171186 0.674759 Se\n0.341249 0.895731 0.660070 Se\n0.973790 0.602895 0.903637 Se\n0.451215 0.596689 0.750697 F\n0.751569 0.793094 0.513280 F\n0.727653 0.485263 0.251113 F\n0.457503 0.257778 0.576827 F\n0.548785 0.096689 0.749303 F\n0.900272 0.654086 0.233541 F\n0.760733 0.567071 0.474572 F\n0.997966 0.331103 0.764105 F\n0.902993 0.955856 0.078433 F\n0.002034 0.831103 0.735895 F\n0.446598 0.796328 0.607372 F\n0.772347 0.514737 0.751113 F\n0.260733 0.932929 0.525428 F\n0.042497 0.742222 0.076827 F\n0.248431 0.293094 0.986720 F\n0.053402 0.203672 0.107372 F\n0.099728 0.154086 0.266459 F\n0.762371 0.990317 0.815517 F\n0.412985 0.861184 0.370131 F\n0.946598 0.703672 0.392628 F\n0.237629 0.490317 0.684483 F\n0.239267 0.067071 0.025428 F\n0.262371 0.509683 0.184483 F\n0.048785 0.403311 0.250697 F\n0.272347 0.985263 0.248887 F\n0.737629 0.009683 0.315517 F\n0.599728 0.345914 0.733541 F\n0.227653 0.014737 0.748887 F\n0.587015 0.361184 0.129869 F\n0.553402 0.296328 0.892628 F\n0.400272 0.845914 0.766459 F\n0.951215 0.903311 0.249303 F\n0.912985 0.638816 0.629869 F\n0.658775 0.578182 0.095422 F\n0.402993 0.544144 0.921567 F\n0.158775 0.921818 0.904578 F\n0.597007 0.044144 0.578433 F\n0.251569 0.706906 0.486720 F\n0.748431 0.206906 0.013280 F\n0.739267 0.432929 0.974572 F\n0.087015 0.138816 0.870131 F\n0.097007 0.455856 0.421567 F\n0.957503 0.242222 0.423173 F\n0.542497 0.757778 0.923173 F\n0.841225 0.421818 0.595422 F\n0.502034 0.668897 0.264105 F\n0.497966 0.168897 0.235895 F\n0.341225 0.078182 0.404578 F\n",
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"formula_full": "Sb8 Te8 Se16 F48",
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"spacegroup": 19
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{
"id": "mp-30241",
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"structure_string": "Mg5 H2 O6\n1.0\n1.523651 -2.639041 0.000000\n1.523651 2.639041 0.000000\n0.000000 0.000000 14.812101\nMg H O\n5 2 6\ndirect\n0.666667 0.333333 0.668762 Mg\n0.333333 0.666667 0.331238 Mg\n0.333333 0.666667 0.834606 Mg\n0.666667 0.333333 0.165394 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.531205 H\n0.666667 0.333333 0.468795 H\n0.333333 0.666667 0.082720 O\n0.666667 0.333333 0.917280 O\n0.000000 0.000000 0.248191 O\n0.666667 0.333333 0.403444 O\n0.333333 0.666667 0.596556 O\n0.000000 0.000000 0.751809 O\n",
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{
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"structure_string": "Fe3 W5 N8\n1.0\n-1.437754 -2.491071 0.000000\n-2.875508 0.000000 0.000000\n0.000000 0.000000 -22.537263\nFe W N\n3 5 8\ndirect\n0.999994 0.000003 0.875000 Fe\n0.000018 0.999991 0.121712 Fe\n0.000018 0.999991 0.628288 Fe\n0.999885 0.000057 0.245652 W\n0.000001 0.000000 0.751133 W\n0.000001 0.000000 0.998867 W\n0.999885 0.000057 0.504348 W\n0.000059 0.999971 0.375000 W\n0.333581 0.333209 0.314575 N\n0.333447 0.333277 0.811088 N\n0.666498 0.666751 0.186565 N\n0.666544 0.666728 0.691124 N\n0.666544 0.666728 0.058876 N\n0.666498 0.666751 0.563435 N\n0.333581 0.333209 0.435425 N\n0.333447 0.333277 0.938912 N\n",
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{
"id": "mp-625837",
"created_at": "2022-09-04T14:41:59.831105Z",
"structure_string": "Be4 H8 O8\n1.0\n4.836321 0.000000 0.000000\n0.000000 4.844351 0.000000\n0.000000 0.000000 5.792685\nBe H O\n4 8 8\ndirect\n0.575251 0.171753 0.874816 Be\n0.075251 0.328247 0.125184 Be\n0.924749 0.828247 0.374816 Be\n0.424749 0.671753 0.625184 Be\n0.497455 0.413257 0.202594 H\n0.997455 0.086743 0.797406 H\n0.002545 0.586743 0.702594 H\n0.502545 0.913257 0.297406 H\n0.692827 0.754308 0.940755 H\n0.192827 0.745692 0.059245 H\n0.807173 0.245692 0.440755 H\n0.307173 0.254308 0.559245 H\n0.410473 0.266125 0.110034 O\n0.910473 0.233875 0.889966 O\n0.089527 0.733875 0.610034 O\n0.589527 0.766125 0.389966 O\n0.534460 0.833425 0.856761 O\n0.034460 0.666575 0.143239 O\n0.965540 0.166575 0.356761 O\n0.465540 0.333425 0.643239 O\n",
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{
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"structure_string": "Li1 H12 Au1 C4 S4 O12\n1.0\n-4.829699 4.829699 4.893401\n4.829699 -4.829699 4.893401\n4.829699 4.829699 -4.893401\nLi H Au C S O\n1 12 1 4 4 12\ndirect\n0.750000 0.250000 0.500000 Li\n0.893774 0.778137 0.310834 H\n0.467303 0.582941 0.689166 H\n0.221863 0.532697 0.115637 H\n0.417059 0.106226 0.884363 H\n0.950387 0.696763 0.486013 H\n0.210750 0.464375 0.513987 H\n0.303237 0.789250 0.253625 H\n0.535625 0.049613 0.746375 H\n0.701849 0.627960 0.331810 H\n0.296150 0.370039 0.668190 H\n0.372040 0.703850 0.073889 H\n0.629961 0.298151 0.926111 H\n0.000000 0.000000 0.000000 Au\n0.854297 0.741053 0.410051 C\n0.331002 0.444246 0.589949 C\n0.258947 0.668998 0.113244 C\n0.555754 0.145703 0.886756 C\n0.886253 0.954165 0.588707 S\n0.365458 0.297546 0.411293 S\n0.045835 0.634542 0.932088 S\n0.702454 0.113747 0.067912 S\n0.810426 0.881172 0.710620 O\n0.170552 0.099806 0.289380 O\n0.118828 0.829448 0.929254 O\n0.900194 0.189574 0.070746 O\n0.091330 0.098331 0.708206 O\n0.390125 0.383124 0.291794 O\n0.901669 0.609875 0.992999 O\n0.616876 0.908670 0.007001 O\n0.752162 0.009586 0.491364 O\n0.518221 0.260798 0.508636 O\n0.990414 0.481779 0.742576 O\n0.739202 0.247838 0.257424 O\n",
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{
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{
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