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{
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{
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{
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"structure_string": "Bi14 O12 F18\n1.0\n2.926515 -20.824129 0.000000\n2.926515 20.824129 0.000000\n0.000000 0.000000 5.836570\nBi O F\n14 12 18\ndirect\n0.959611 0.613512 0.706554 Bi\n0.113512 0.459611 0.706554 Bi\n0.225271 0.283282 0.747541 Bi\n0.783282 0.725271 0.747541 Bi\n0.442171 0.942171 0.741574 Bi\n0.611020 0.814602 0.692847 Bi\n0.314602 0.111020 0.692847 Bi\n0.814602 0.611020 0.307153 Bi\n0.111020 0.314602 0.307153 Bi\n0.942171 0.442171 0.258426 Bi\n0.725271 0.783282 0.252459 Bi\n0.283282 0.225271 0.252459 Bi\n0.613512 0.959611 0.293446 Bi\n0.459611 0.113512 0.293446 Bi\n0.983025 0.983025 0.000000 O\n0.483025 0.483025 0.000000 O\n0.867855 0.160170 0.522229 O\n0.660170 0.367855 0.522229 O\n0.895448 0.042523 0.507355 O\n0.542523 0.395448 0.507355 O\n0.505325 0.505325 0.500000 O\n0.005325 0.005325 0.500000 O\n0.042523 0.895448 0.492645 O\n0.395448 0.542523 0.492645 O\n0.367855 0.660170 0.477771 O\n0.160170 0.867855 0.477771 O\n0.532191 0.660907 0.951723 F\n0.160907 0.032191 0.951723 F\n0.225816 0.488352 0.918015 F\n0.988352 0.725816 0.918015 F\n0.086508 0.586508 0.892062 F\n0.343456 0.950114 0.873484 F\n0.450114 0.843456 0.873484 F\n0.763857 0.199454 0.539045 F\n0.699454 0.263857 0.539045 F\n0.263857 0.699454 0.460955 F\n0.199454 0.763857 0.460955 F\n0.950114 0.343456 0.126516 F\n0.843456 0.450114 0.126516 F\n0.586508 0.086508 0.107938 F\n0.725816 0.988352 0.081985 F\n0.488352 0.225816 0.081985 F\n0.032191 0.160907 0.048277 F\n0.660907 0.532191 0.048277 F\n",
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{
"id": "mp-754324",
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"structure_string": "Li4 V3 Cr1 O8\n1.0\n1.486476 0.857357 4.892422\n5.946999 0.000368 -0.000633\n-2.973179 5.152019 -0.000923\nLi V Cr O\n4 3 1 8\ndirect\n0.001144 0.996144 0.497649 Li\n0.998845 0.003873 0.002354 Li\n0.999807 0.500064 0.494871 Li\n0.000201 0.499896 0.005108 Li\n0.500005 0.000030 0.750028 V\n0.500015 0.000044 0.250016 V\n0.500018 0.499969 0.749980 V\n0.500046 0.499798 0.249869 Cr\n0.273208 0.242267 0.620775 O\n0.730531 0.256227 0.880771 O\n0.270008 0.245693 0.124208 O\n0.731007 0.259326 0.378721 O\n0.269423 0.743840 0.619295 O\n0.726812 0.757723 0.879228 O\n0.268929 0.740737 0.121302 O\n0.730002 0.754368 0.375826 O\n",
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"formula_full": "Li4 V3 Cr1 O8",
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{
"id": "mp-1176309",
"created_at": "2022-09-04T14:44:04.129998Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.439173 4.896128 0.000000\n-1.439173 4.896128 0.000000\n0.000000 3.173331 20.368467\nLi Mn Co O\n9 2 5 16\ndirect\n0.248592 0.248592 0.942218 Li\n0.751408 0.751408 0.057782 Li\n0.254538 0.254538 0.186374 Li\n0.747169 0.747169 0.311083 Li\n0.251974 0.251974 0.439759 Li\n0.748026 0.748026 0.560241 Li\n0.252831 0.252831 0.688917 Li\n0.745462 0.745462 0.813626 Li\n0.500000 0.500000 0.000000 Li\n0.994302 0.994302 0.879887 Mn\n0.005698 0.005698 0.120113 Mn\n0.503225 0.503225 0.248815 Co\n0.999366 0.999366 0.375285 Co\n0.500000 0.500000 0.500000 Co\n0.000634 0.000634 0.624715 Co\n0.496775 0.496775 0.751185 Co\n0.387942 0.387942 0.845493 O\n0.882356 0.882356 0.959497 O\n0.390241 0.390241 0.097888 O\n0.891655 0.891655 0.216047 O\n0.391169 0.391169 0.344343 O\n0.881002 0.881002 0.470578 O\n0.391630 0.391630 0.595980 O\n0.880743 0.880743 0.721927 O\n0.117644 0.117644 0.040503 O\n0.612058 0.612058 0.154507 O\n0.119257 0.119257 0.278073 O\n0.608370 0.608370 0.404020 O\n0.118998 0.118998 0.529422 O\n0.608831 0.608831 0.655657 O\n0.108345 0.108345 0.783953 O\n0.609759 0.609759 0.902112 O\n",
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{
"id": "mp-624762",
"created_at": "2022-09-04T14:44:04.141520Z",
"structure_string": "Fe16 Te8 C44 O44\n1.0\n6.905703 0.000000 0.000000\n0.000000 15.900820 0.000000\n0.000000 0.000000 17.496530\nFe Te C O\n16 8 44 44\ndirect\n0.181517 0.325049 0.154577 Fe\n0.325662 0.334127 0.808674 Fe\n0.174338 0.165873 0.808674 Fe\n0.318483 0.325049 0.654577 Fe\n0.181517 0.174951 0.654577 Fe\n0.825662 0.834127 0.191326 Fe\n0.818483 0.674951 0.845423 Fe\n0.174338 0.334127 0.308674 Fe\n0.818483 0.825049 0.345423 Fe\n0.318483 0.174951 0.154577 Fe\n0.674338 0.665873 0.191326 Fe\n0.825662 0.665873 0.691326 Fe\n0.325662 0.165873 0.308674 Fe\n0.681517 0.825049 0.845423 Fe\n0.681517 0.674951 0.345423 Fe\n0.674338 0.834127 0.691326 Fe\n0.489041 0.209201 0.738976 Te\n0.510959 0.709201 0.761024 Te\n0.489041 0.290799 0.238976 Te\n0.010959 0.209201 0.238976 Te\n0.510959 0.790799 0.261024 Te\n0.010959 0.290799 0.738976 Te\n0.989041 0.709201 0.261024 Te\n0.989041 0.790799 0.761024 Te\n0.700652 0.587504 0.890158 C\n0.455099 0.645229 0.387635 C\n0.479539 0.830550 0.623879 C\n0.200652 0.412496 0.609842 C\n0.979539 0.330550 0.376121 C\n0.598675 0.573975 0.240613 C\n0.044901 0.645229 0.887635 C\n0.955099 0.145229 0.612365 C\n0.825580 0.614775 0.122340 C\n0.020461 0.830550 0.123879 C\n0.799348 0.912496 0.890158 C\n0.901325 0.573975 0.740613 C\n0.401325 0.426025 0.759387 C\n0.544901 0.145229 0.112365 C\n0.598675 0.926025 0.740613 C\n0.098675 0.073975 0.759387 C\n0.325580 0.114775 0.877660 C\n0.020461 0.669450 0.623879 C\n0.299348 0.412496 0.109842 C\n0.750000 0.750000 0.427490 C\n0.674420 0.614775 0.622340 C\n0.174420 0.114775 0.377660 C\n0.174420 0.385225 0.877660 C\n0.250000 0.250000 0.572510 C\n0.544901 0.354771 0.612365 C\n0.325580 0.385225 0.377660 C\n0.520461 0.169450 0.376121 C\n0.455099 0.854771 0.887635 C\n0.044901 0.854771 0.387635 C\n0.979539 0.169450 0.876121 C\n0.200652 0.087504 0.109842 C\n0.401325 0.073975 0.259387 C\n0.901325 0.926025 0.240613 C\n0.479539 0.669450 0.123879 C\n0.825580 0.885225 0.622340 C\n0.700652 0.912496 0.390158 C\n0.674420 0.885225 0.122340 C\n0.299348 0.087504 0.609842 C\n0.799348 0.587504 0.390158 C\n0.250000 0.250000 0.072510 C\n0.750000 0.750000 0.927490 C\n0.520461 0.330550 0.876121 C\n0.098675 0.426025 0.259387 C\n0.955099 0.354771 0.112365 C\n0.309252 0.626730 0.415889 O\n0.190748 0.873270 0.415889 O\n0.645704 0.168798 0.420278 O\n0.750000 0.750000 0.495407 O\n0.854296 0.168798 0.920278 O\n0.250000 0.250000 0.004593 O\n0.874014 0.968340 0.920842 O\n0.543541 0.994179 0.754098 O\n0.919306 0.580212 0.077152 O\n0.956459 0.994179 0.254098 O\n0.374014 0.468340 0.079158 O\n0.854296 0.331202 0.420278 O\n0.919306 0.919788 0.577152 O\n0.456459 0.005821 0.245902 O\n0.874014 0.531660 0.420842 O\n0.374014 0.031660 0.579158 O\n0.419306 0.419788 0.422848 O\n0.080694 0.419788 0.922848 O\n0.250000 0.250000 0.504593 O\n0.690748 0.373270 0.584111 O\n0.354296 0.831202 0.579722 O\n0.354296 0.668798 0.079722 O\n0.043541 0.494179 0.245902 O\n0.956459 0.505821 0.754098 O\n0.625986 0.531660 0.920842 O\n0.580694 0.580212 0.577152 O\n0.419306 0.080212 0.922848 O\n0.809252 0.126730 0.584111 O\n0.543541 0.505821 0.254098 O\n0.809252 0.373270 0.084111 O\n0.145704 0.831202 0.079722 O\n0.043541 0.005821 0.745902 O\n0.580694 0.919788 0.077152 O\n0.456459 0.494179 0.745902 O\n0.645704 0.331202 0.920278 O\n0.125986 0.031660 0.079158 O\n0.625986 0.968340 0.420842 O\n0.080694 0.080212 0.422848 O\n0.690748 0.126730 0.084111 O\n0.190748 0.626730 0.915889 O\n0.125986 0.468340 0.579158 O\n0.145704 0.668798 0.579722 O\n0.309252 0.873270 0.915889 O\n0.750000 0.750000 0.995407 O\n",
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{
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{
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{
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"structure_string": "Al4 Zn4 S10\n1.0\n1.840393 -3.187654 0.000000\n1.840393 3.187654 0.000000\n0.000000 0.000000 30.310183\nAl Zn S\n4 4 10\ndirect\n0.333333 0.666667 0.913665 Al\n0.666667 0.333333 0.086335 Al\n0.666667 0.333333 0.413665 Al\n0.333333 0.666667 0.586335 Al\n0.000000 0.000000 0.799550 Zn\n0.000000 0.000000 0.200450 Zn\n0.000000 0.000000 0.299550 Zn\n0.000000 0.000000 0.700450 Zn\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n0.333333 0.666667 0.841865 S\n0.666667 0.333333 0.158135 S\n0.666667 0.333333 0.341865 S\n0.333333 0.666667 0.658135 S\n0.666667 0.333333 0.946098 S\n0.333333 0.666667 0.053902 S\n0.333333 0.666667 0.446098 S\n0.666667 0.333333 0.553902 S\n",
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"formula_full": "Al4 Zn4 S10",
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{
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"structure_string": "Fe8 Si2 O18\n1.0\n15.651276 0.000000 0.000000\n0.000000 5.296713 0.000000\n0.000000 2.534968 4.691744\nFe Si O\n8 2 18\ndirect\n0.256220 0.674589 0.996606 Fe\n0.256147 0.333127 0.668914 Fe\n0.254006 0.013390 0.316709 Fe\n0.756220 0.325411 0.003394 Fe\n0.756147 0.666873 0.331086 Fe\n0.754006 0.986610 0.683291 Fe\n0.452578 0.319702 0.333634 Fe\n0.952578 0.680298 0.666366 Fe\n0.445310 0.656400 0.676618 Si\n0.945310 0.343600 0.323382 Si\n0.483174 0.402630 0.971223 O\n0.475729 0.617552 0.406719 O\n0.475574 0.966419 0.635955 O\n0.983174 0.597370 0.028777 O\n0.975729 0.382448 0.593281 O\n0.975574 0.033581 0.364045 O\n0.325803 0.321408 0.331883 O\n0.336374 0.647851 0.686216 O\n0.825803 0.678592 0.668117 O\n0.836374 0.352149 0.313784 O\n0.198103 0.358530 0.989438 O\n0.202488 0.674499 0.340244 O\n0.201910 0.997536 0.645456 O\n0.698103 0.641470 0.010562 O\n0.702488 0.325501 0.659756 O\n0.701910 0.002464 0.354544 O\n0.315585 0.997118 0.011299 O\n0.815585 0.002882 0.988701 O\n",
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}