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{
"id": "mp-1222804",
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"structure_string": "La1 Y3 Ti4 O14\n1.0\n6.282904 -3.633296 0.000000\n6.282904 3.633296 0.000000\n4.181831 0.000000 5.931948\nLa Y Ti O\n1 3 4 14\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.926299 0.327470 0.327470 O\n0.327978 0.921718 0.921718 O\n0.327470 0.327470 0.926299 O\n0.921718 0.921718 0.327978 O\n0.921718 0.327978 0.921718 O\n0.327470 0.926299 0.327470 O\n0.073701 0.672530 0.672530 O\n0.672022 0.078282 0.078282 O\n0.672530 0.672530 0.073701 O\n0.078282 0.078282 0.672022 O\n0.078282 0.672022 0.078282 O\n0.672530 0.073701 0.672530 O\n0.369661 0.369661 0.369661 O\n0.630339 0.630339 0.630339 O\n",
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{
"id": "mp-1521963",
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"structure_string": "Na1 Ca1 Gd1 W1 O6\n1.0\n-0.000000 -4.183877 -4.183877\n4.183877 -0.000000 -4.183877\n4.183877 -4.183877 -0.000000\nNa Ca Gd W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 -0.000000 Gd\n0.500000 0.500000 0.500000 W\n0.732228 0.267772 0.267772 O\n0.267772 0.732228 0.732228 O\n0.732228 0.267772 0.732228 O\n0.267772 0.732228 0.267772 O\n0.732228 0.732228 0.267772 O\n0.267772 0.267772 0.732228 O\n",
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"updated_at": "2021-11-28T01:38:18.995000Z",
"spacegroup": 216
},
{
"id": "mp-1212549",
"created_at": "2022-09-04T14:43:20.924382Z",
"structure_string": "Na4 V16 Bi52 O120\n1.0\n9.437855 5.845452 -3.585776\n-9.437855 5.845452 3.585776\n9.387889 -5.845452 24.622638\nNa V Bi O\n4 16 52 120\ndirect\n0.802346 0.100484 0.184904 Na\n0.915579 0.617442 0.815096 Na\n0.397454 0.604723 0.313745 Na\n0.290979 0.083709 0.686255 Na\n0.351700 0.624320 0.553239 V\n0.071081 0.798461 0.446761 V\n0.138231 0.922803 0.055441 V\n0.867362 0.082790 0.944559 V\n0.416689 0.924576 0.309547 V\n0.615029 0.107142 0.690453 V\n0.732889 0.600159 0.311621 V\n0.288538 0.421267 0.688379 V\n0.760057 0.123493 0.442788 V\n0.680705 0.317269 0.557212 V\n0.822110 0.819139 0.188042 V\n0.631096 0.634068 0.811958 V\n0.460662 0.603084 0.063182 V\n0.539902 0.397481 0.936818 V\n0.475610 0.120137 0.183720 V\n0.936417 0.291889 0.816280 V\n0.389979 0.121770 0.429053 Bi\n0.692716 0.960925 0.570947 Bi\n0.819842 0.248726 0.074434 Bi\n0.174292 0.745408 0.925566 Bi\n0.244702 0.923482 0.805407 Bi\n0.118076 0.439295 0.194593 Bi\n0.482236 0.251519 0.060054 Bi\n0.191465 0.422181 0.939946 Bi\n0.802386 0.437616 0.195331 Bi\n0.242285 0.607055 0.804669 Bi\n0.415301 0.459156 0.424621 Bi\n0.034535 0.990680 0.575379 Bi\n0.472488 0.919043 0.059161 Bi\n0.859882 0.413328 0.940839 Bi\n0.637813 0.786559 0.687498 Bi\n0.099062 0.950315 0.312502 Bi\n0.163633 0.139359 0.191245 Bi\n0.948114 0.972388 0.808755 Bi\n0.701623 0.656367 0.565223 Bi\n0.091144 0.136400 0.434777 Bi\n0.796456 0.581802 0.067648 Bi\n0.514154 0.728808 0.932352 Bi\n0.752889 0.940607 0.308964 Bi\n0.631643 0.443925 0.691036 Bi\n0.076805 0.265145 0.303688 Bi\n0.961457 0.773117 0.696312 Bi\n0.354314 0.286752 0.561271 Bi\n0.725481 0.793043 0.438729 Bi\n0.104317 0.594440 0.064805 Bi\n0.529635 0.039511 0.935195 Bi\n0.455996 0.466458 0.184748 Bi\n0.281710 0.271248 0.815252 Bi\n0.261358 0.744430 0.686123 Bi\n0.058308 0.575236 0.313877 Bi\n0.416350 0.277112 0.302510 Bi\n0.974602 0.113840 0.697490 Bi\n0.730332 0.445639 0.430975 Bi\n0.014664 0.299357 0.569025 Bi\n0.808284 0.929416 0.060679 Bi\n0.868737 0.747605 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0.356500 O\n0.502120 0.319656 0.410998 O\n0.908659 0.091122 0.589002 O\n0.664116 0.193013 0.426179 O\n0.766834 0.237937 0.573821 O\n0.222344 0.603702 0.388915 O\n0.214787 0.833429 0.611085 O\n0.548371 0.034125 0.741344 O\n0.292781 0.807027 0.258656 O\n0.723869 0.828112 0.616504 O\n0.211608 0.107365 0.383496 O\n0.294538 0.209685 0.478076 O\n0.731609 0.816462 0.521924 O\n0.488545 0.988124 0.152710 O\n0.835413 0.335835 0.847290 O\n0.980614 0.884968 0.226004 O\n0.658965 0.754610 0.773996 O\n0.375510 0.583294 0.218892 O\n0.364403 0.156618 0.781108 O\n0.948769 0.149375 0.082124 O\n0.067251 0.866644 0.917876 O\n0.349017 0.322132 0.231330 O\n0.090802 0.117687 0.768670 O\n0.895097 0.681488 0.300791 O\n0.380697 0.594306 0.699209 O\n0.795811 0.062031 0.388183 O\n0.673848 0.407628 0.611817 O\n0.436132 0.534988 0.550346 O\n0.984642 0.885787 0.449654 O\n0.139661 0.073278 0.055682 O\n0.017596 0.083980 0.944318 O\n0.977757 0.619660 0.116728 O\n0.502931 0.861029 0.883272 O\n0.617189 0.513139 0.254468 O\n0.258672 0.362721 0.745532 O\n0.768892 0.660019 0.155522 O\n0.504497 0.613370 0.844478 O\n0.977492 0.784335 0.024783 O\n0.759552 0.952709 0.975217 O\n0.705369 0.470893 0.346849 O\n0.124044 0.358520 0.653151 O\n0.705718 0.825371 0.223482 O\n0.601889 0.482237 0.776518 O\n0.051924 0.229939 0.218720 O\n0.011220 0.833204 0.781280 O\n0.966031 0.017242 0.331177 O\n0.686065 0.634854 0.668823 O\n0.463432 0.222865 0.142654 O\n0.080211 0.320777 0.857346 O\n0.512927 0.200763 0.527674 O\n0.673089 0.985253 0.472326 O\n0.058928 0.411052 0.087943 O\n0.323109 0.970985 0.912057 O\n0.669734 0.590845 0.452048 O\n0.138797 0.217686 0.547952 O\n0.262408 0.926098 0.023331 O\n0.902767 0.239077 0.976669 O\n0.318910 0.652894 0.491759 O\n0.161136 0.827151 0.508241 O\n0.194606 0.136884 0.279134 O\n0.857749 0.915472 0.720866 O\n0.870590 0.404952 0.267792 O\n0.137160 0.602798 0.732208 O\n0.691879 0.386407 0.089469 O\n0.296938 0.602410 0.910531 O\n0.449031 0.778047 0.593896 O\n0.184151 0.855135 0.406104 O\n",
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"formula_full": "Na4 V16 Bi52 O120",
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{
"id": "mp-1237578",
"created_at": "2022-09-04T14:42:45.846672Z",
"structure_string": "Zn1 Sn2 H12 O6 F6\n1.0\n6.528805 0.000000 0.000000\n0.301492 6.799532 0.000000\n0.650580 1.502504 7.379418\nZn Sn H O F\n1 2 12 6 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.643490 0.649635 0.624971 Sn\n0.356510 0.350365 0.375029 Sn\n0.722125 0.647310 0.961708 H\n0.277875 0.352690 0.038292 H\n0.710297 0.040871 0.256073 H\n0.289703 0.959129 0.743927 H\n0.658187 0.051670 0.807680 H\n0.341813 0.948330 0.192320 H\n0.940302 0.218948 0.636044 H\n0.059698 0.781052 0.363956 H\n0.074799 0.866614 0.704382 H\n0.925201 0.133386 0.295618 H\n0.636336 0.561661 0.878345 H\n0.363664 0.438339 0.121655 H\n0.864104 0.026572 0.242908 O\n0.135896 0.973428 0.757092 O\n0.811871 0.280658 0.682800 O\n0.188129 0.719342 0.317200 O\n0.750525 0.145512 0.853320 O\n0.249475 0.854488 0.146680 O\n0.951644 0.727915 0.619110 F\n0.048356 0.272085 0.380890 F\n0.532915 0.932815 0.710713 F\n0.467085 0.067185 0.289287 F\n0.798700 0.726121 0.044282 F\n0.201300 0.273879 0.955718 F\n",
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"formula_full": "Zn1 Sn2 H12 O6 F6",
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{
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"structure_string": "Cs2 Pt1 F6\n1.0\n0.000000 4.624815 4.624815\n4.624815 0.000000 4.624815\n4.624815 4.624815 0.000000\nCs Pt F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Pt\n0.786022 0.786022 0.213978 F\n0.786022 0.213978 0.786022 F\n0.213978 0.786022 0.213978 F\n0.213978 0.213978 0.786022 F\n0.213978 0.786022 0.786022 F\n0.786022 0.213978 0.213978 F\n",
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{
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"structure_string": "Li4 Ni8 O4 F12\n1.0\n5.041695 0.000000 0.000000\n0.000000 5.978615 0.000000\n0.000000 0.000000 10.216444\nLi Ni O F\n4 8 4 12\ndirect\n0.967449 0.750000 0.592609 Li\n0.532551 0.750000 0.092609 Li\n0.467449 0.250000 0.907391 Li\n0.032551 0.250000 0.407391 Li\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.993724 0.250000 0.741447 Ni\n0.506276 0.250000 0.241447 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.493724 0.750000 0.758553 Ni\n0.006276 0.750000 0.258553 Ni\n0.830138 0.250000 0.913944 O\n0.669862 0.250000 0.413944 O\n0.330138 0.750000 0.586056 O\n0.169862 0.750000 0.086056 O\n0.778099 0.750000 0.425488 F\n0.760696 0.991203 0.669678 F\n0.760696 0.508797 0.669678 F\n0.739304 0.991203 0.169678 F\n0.739304 0.508797 0.169678 F\n0.721901 0.750000 0.925488 F\n0.278099 0.250000 0.074512 F\n0.260696 0.008797 0.830322 F\n0.260696 0.491203 0.830322 F\n0.239304 0.491203 0.330322 F\n0.239304 0.008797 0.330322 F\n0.221901 0.250000 0.574512 F\n",
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{
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