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{
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"structure_string": "Bi20 O28 F4\n1.0\n12.525405 0.000000 0.000000\n0.000000 6.921693 0.000000\n0.000000 6.361131 11.901589\nBi O F\n20 28 4\ndirect\n0.249350 0.991114 0.429847 Bi\n0.277433 0.649372 0.766594 Bi\n0.234840 0.327582 0.080631 Bi\n0.521950 0.314627 0.916854 Bi\n0.490361 0.624147 0.608487 Bi\n0.990361 0.375853 0.891513 Bi\n0.021950 0.685373 0.583146 Bi\n0.734840 0.672418 0.419369 Bi\n0.777433 0.350628 0.733406 Bi\n0.749350 0.008886 0.070153 Bi\n0.250650 0.991114 0.929847 Bi\n0.222567 0.649372 0.266594 Bi\n0.265160 0.327582 0.580631 Bi\n0.978050 0.314627 0.416854 Bi\n0.009639 0.624147 0.108487 Bi\n0.509639 0.375853 0.391513 Bi\n0.478050 0.685373 0.083146 Bi\n0.765160 0.672418 0.919369 Bi\n0.722567 0.350628 0.233406 Bi\n0.750650 0.008886 0.570153 Bi\n0.104910 0.000019 0.507171 O\n0.898136 0.478539 0.001642 O\n0.343880 0.884040 0.576188 O\n0.666492 0.385727 0.993272 O\n0.857507 0.578918 0.778360 O\n0.103600 0.617879 0.736498 O\n0.741754 0.677527 0.581876 O\n0.241754 0.322473 0.918124 O\n0.603600 0.382121 0.763502 O\n0.357507 0.421082 0.721640 O\n0.166492 0.614273 0.506728 O\n0.843880 0.115960 0.923812 O\n0.398136 0.521461 0.498358 O\n0.604910 0.999981 0.992829 O\n0.395090 0.000019 0.007171 O\n0.601864 0.478539 0.501642 O\n0.156120 0.884040 0.076188 O\n0.833508 0.385727 0.493272 O\n0.642493 0.578918 0.278360 O\n0.396400 0.617879 0.236498 O\n0.758246 0.677527 0.081876 O\n0.258246 0.322473 0.418124 O\n0.896400 0.382121 0.263502 O\n0.142493 0.421082 0.221640 O\n0.333508 0.614273 0.006728 O\n0.656120 0.115960 0.423812 O\n0.101864 0.521461 0.998358 O\n0.895090 0.999981 0.492829 O\n0.521985 0.286672 0.226946 F\n0.021985 0.713328 0.273054 F\n0.978015 0.286672 0.726946 F\n0.478015 0.713328 0.773054 F\n",
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{
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"structure_string": "Al14 Tl6 S24\n1.0\n12.627460 0.000000 0.000000\n0.000000 9.205085 0.000000\n0.000000 1.035045 9.679066\nAl Tl S\n14 6 24\ndirect\n0.283914 0.030606 0.029450 Al\n0.783914 0.969394 0.970550 Al\n0.764306 0.289532 0.191516 Al\n0.264306 0.710468 0.808484 Al\n0.373247 0.696853 0.179109 Al\n0.873247 0.303147 0.820891 Al\n0.767159 0.477988 0.477896 Al\n0.267159 0.522012 0.522104 Al\n0.671797 0.669066 0.174984 Al\n0.171797 0.330934 0.825016 Al\n0.537826 0.021336 0.198483 Al\n0.037826 0.978664 0.801517 Al\n0.515465 0.371555 0.359019 Al\n0.015465 0.628445 0.640981 Al\n0.254656 0.038388 0.478202 Tl\n0.754656 0.961612 0.521798 Tl\n0.025990 0.121663 0.225337 Tl\n0.525990 0.878337 0.774663 Tl\n0.022742 0.619270 0.166841 Tl\n0.522742 0.380730 0.833159 Tl\n0.958753 0.926048 0.006430 S\n0.204263 0.245868 0.045530 S\n0.308050 0.327977 0.677367 S\n0.808050 0.672023 0.322633 S\n0.704263 0.754132 0.954470 S\n0.613203 0.430460 0.156913 S\n0.847730 0.524141 0.685836 S\n0.347730 0.475859 0.314164 S\n0.331348 0.728909 0.595062 S\n0.831348 0.271091 0.404938 S\n0.593937 0.470550 0.531249 S\n0.093937 0.529450 0.468751 S\n0.394838 0.644561 0.958690 S\n0.894838 0.355439 0.041310 S\n0.746090 0.138522 0.792448 S\n0.246090 0.861478 0.207552 S\n0.528188 0.776141 0.271815 S\n0.028188 0.223859 0.728185 S\n0.718959 0.050555 0.172338 S\n0.218959 0.949445 0.827662 S\n0.494496 0.126586 0.388708 S\n0.994496 0.873414 0.611292 S\n0.113203 0.569540 0.843087 S\n0.458753 0.073952 0.993570 S\n",
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},
{
"id": "mp-729516",
"created_at": "2022-09-04T14:40:09.549832Z",
"structure_string": "Ag8 As8 O28\n1.0\n13.762268 0.000000 0.000000\n0.000000 6.330317 0.000000\n0.000000 4.045036 7.057822\nAg As O\n8 8 28\ndirect\n0.241134 0.152155 0.434962 Ag\n0.258866 0.152155 0.934962 Ag\n0.758866 0.847845 0.565038 Ag\n0.741134 0.847845 0.065038 Ag\n0.979817 0.058032 0.676650 Ag\n0.520183 0.058032 0.176650 Ag\n0.020183 0.941968 0.323350 Ag\n0.479817 0.941968 0.823350 Ag\n0.197335 0.639415 0.947775 As\n0.302665 0.639415 0.447775 As\n0.802665 0.360585 0.052225 As\n0.697335 0.360585 0.552225 As\n0.002385 0.499936 0.182217 As\n0.497615 0.499936 0.682217 As\n0.997615 0.500064 0.817783 As\n0.502385 0.500064 0.317783 As\n0.958628 0.695104 0.932127 O\n0.541372 0.695104 0.432127 O\n0.041372 0.304896 0.067873 O\n0.458628 0.304896 0.567873 O\n0.959349 0.677561 0.276447 O\n0.540651 0.677561 0.776447 O\n0.040651 0.322439 0.723553 O\n0.459349 0.322439 0.223553 O\n0.045928 0.220402 0.397459 O\n0.454072 0.220402 0.897459 O\n0.954072 0.779598 0.602541 O\n0.545928 0.779598 0.102541 O\n0.126426 0.655444 0.121682 O\n0.373574 0.655444 0.621682 O\n0.873574 0.344556 0.878318 O\n0.626426 0.344556 0.378318 O\n0.125217 0.656415 0.763724 O\n0.374783 0.656415 0.263724 O\n0.874783 0.343585 0.236276 O\n0.625217 0.343585 0.736276 O\n0.263251 0.375915 0.060104 O\n0.236749 0.375915 0.560104 O\n0.736749 0.624085 0.939896 O\n0.763251 0.624085 0.439896 O\n0.267029 0.898600 0.835811 O\n0.232971 0.898600 0.335811 O\n0.732971 0.101400 0.164189 O\n0.767029 0.101400 0.664189 O\n",
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"formula_full": "Ag8 As8 O28",
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{
"id": "mp-759929",
"created_at": "2022-09-04T14:40:09.553101Z",
"structure_string": "Li4 Mn8 F28\n1.0\n5.095760 0.000000 0.000000\n0.000000 7.508735 0.000000\n0.000000 1.873929 13.125085\nLi Mn F\n4 8 28\ndirect\n0.280344 0.857810 0.559759 Li\n0.772941 0.599560 0.428201 Li\n0.272941 0.400440 0.571799 Li\n0.780344 0.142190 0.440241 Li\n0.770351 0.975398 0.106581 Mn\n0.261431 0.918694 0.317484 Mn\n0.761329 0.582311 0.683388 Mn\n0.261113 0.525080 0.894700 Mn\n0.761113 0.474920 0.105300 Mn\n0.261329 0.417689 0.316612 Mn\n0.761431 0.081306 0.682516 Mn\n0.270351 0.024602 0.893419 Mn\n0.951958 0.989123 0.798438 F\n0.537023 0.949001 0.410198 F\n0.612274 0.823947 0.665389 F\n0.372245 0.782160 0.881972 F\n0.056934 0.828014 0.428074 F\n0.090544 0.941968 0.013235 F\n0.959542 0.886421 0.227843 F\n0.960954 0.593810 0.820001 F\n0.069625 0.652771 0.616717 F\n0.660381 0.733759 0.096981 F\n0.400982 0.659290 0.310203 F\n0.570245 0.562031 0.550534 F\n0.461421 0.498888 0.759999 F\n0.560758 0.457547 0.972305 F\n0.060758 0.542453 0.027695 F\n0.961421 0.501112 0.240001 F\n0.070245 0.437969 0.449466 F\n0.900982 0.340710 0.689797 F\n0.160381 0.266241 0.903019 F\n0.569625 0.347229 0.383283 F\n0.460954 0.406190 0.179999 F\n0.459542 0.113579 0.772157 F\n0.590544 0.058032 0.986765 F\n0.556934 0.171986 0.571926 F\n0.872245 0.217840 0.118028 F\n0.112274 0.176053 0.334611 F\n0.037023 0.050999 0.589802 F\n0.451958 0.010877 0.201562 F\n",
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"formula_full": "Li4 Mn8 F28",
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{
"id": "mp-1102155",
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"structure_string": "Er4 Al4 Au4\n1.0\n4.401073 0.000000 0.000000\n0.000000 7.164911 0.000000\n0.000000 0.000000 7.840532\nEr Al Au\n4 4 4\ndirect\n0.250000 0.011720 0.310337 Er\n0.250000 0.511720 0.189663 Er\n0.750000 0.988280 0.689663 Er\n0.750000 0.488280 0.810337 Er\n0.250000 0.165085 0.927248 Al\n0.250000 0.665085 0.572752 Al\n0.750000 0.834915 0.072752 Al\n0.750000 0.334915 0.427248 Al\n0.250000 0.285691 0.605064 Au\n0.250000 0.785691 0.894936 Au\n0.750000 0.714309 0.394936 Au\n0.750000 0.214309 0.105064 Au\n",
"nsites": 12,
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{
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"created_at": "2022-09-04T14:40:09.556041Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.575105 -0.027323 -2.268540\n0.675220 6.130864 4.507291\n4.683835 -6.132206 6.250359\nLi Mn O\n14 10 24\ndirect\n0.169221 0.665768 0.002740 Li\n0.669698 0.165756 0.502721 Li\n0.677924 0.422449 0.755451 Li\n0.178188 0.922629 0.255511 Li\n0.151302 0.406945 0.744506 Li\n0.651137 0.906815 0.244354 Li\n0.848380 0.586760 0.244281 Li\n0.348464 0.086637 0.744148 Li\n0.503108 0.755507 0.761037 Li\n0.003349 0.255546 0.261102 Li\n0.995621 0.740251 0.749158 Li\n0.495697 0.240265 0.249039 Li\n0.320043 0.583716 0.243163 Li\n0.820107 0.083714 0.743141 Li\n0.168694 0.166607 0.500230 Mn\n0.496833 0.496794 0.497811 Mn\n0.832798 0.837477 0.501478 Mn\n0.490418 0.996687 0.996875 Mn\n0.842693 0.340717 0.002718 Mn\n0.668497 0.666517 0.000093 Mn\n0.996576 0.996885 0.997698 Mn\n0.332610 0.337430 0.001411 Mn\n0.990674 0.496767 0.497046 Mn\n0.342632 0.840616 0.502750 Mn\n0.893009 0.790467 0.105637 O\n0.393351 0.290604 0.605861 O\n0.444826 0.545808 0.893270 O\n0.945318 0.045952 0.393409 O\n0.608540 0.468605 0.118404 O\n0.108685 0.968808 0.618502 O\n0.726743 0.867103 0.883324 O\n0.227066 0.367139 0.383426 O\n0.268414 0.122743 0.115655 O\n0.768689 0.622739 0.615749 O\n0.063976 0.207449 0.884892 O\n0.564168 0.707426 0.384962 O\n0.432939 0.797785 0.112875 O\n0.933267 0.297856 0.612993 O\n0.903613 0.543881 0.884859 O\n0.403913 0.044060 0.384856 O\n0.098352 0.445633 0.121021 O\n0.598509 0.945671 0.621049 O\n0.762588 0.394150 0.392361 O\n0.262237 0.894096 0.892215 O\n0.733877 0.115839 0.103748 O\n0.234237 0.615926 0.603891 O\n0.564366 0.200515 0.884219 O\n0.064651 0.700488 0.384360 O\n",
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{
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"structure_string": "Na2 Mg12 Mn2\n1.0\n5.135228 0.000000 0.000000\n0.000000 6.360472 0.000000\n0.000000 0.000000 11.032889\nNa Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.168206 Na\n0.500000 0.000000 0.668206 Na\n0.000000 0.752354 0.081887 Mg\n0.000000 0.247646 0.081887 Mg\n0.000000 0.000000 0.334136 Mg\n0.500000 0.258641 0.413470 Mg\n0.500000 0.741359 0.413470 Mg\n0.500000 0.000000 0.166180 Mg\n0.000000 0.252354 0.581887 Mg\n0.000000 0.747646 0.581887 Mg\n0.000000 0.500000 0.834136 Mg\n0.500000 0.758641 0.913470 Mg\n0.500000 0.241359 0.913470 Mg\n0.500000 0.500000 0.666180 Mg\n0.000000 0.500000 0.340765 Mn\n0.000000 0.000000 0.840765 Mn\n",
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"formula_full": "Na2 Mg12 Mn2",
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{
"id": "mp-1183179",
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"structure_string": "Ac1 Nd1 Mg2\n1.0\n0.000000 4.002017 4.002017\n4.002017 0.000000 4.002017\n4.002017 4.002017 0.000000\nAc Nd Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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"structure_string": "Nb12 Se40 Cl12\n1.0\n19.292865 0.000000 0.000000\n0.000000 7.811681 0.000000\n0.000000 1.674716 12.405823\nNb Se Cl\n12 40 12\ndirect\n0.148799 0.846759 0.157900 Nb\n0.500258 0.245567 0.749319 Nb\n0.499742 0.754433 0.250681 Nb\n0.851201 0.153241 0.842100 Nb\n0.351201 0.846759 0.157900 Nb\n0.351558 0.331860 0.655198 Nb\n0.000258 0.754433 0.250681 Nb\n0.648799 0.153241 0.842100 Nb\n0.999742 0.245567 0.749319 Nb\n0.148442 0.331860 0.655198 Nb\n0.648442 0.668140 0.344802 Nb\n0.851558 0.668140 0.344802 Nb\n0.925973 0.951399 0.739642 Se\n0.462985 0.539988 0.629561 Se\n0.087518 0.492932 0.800526 Se\n0.428741 0.082155 0.604517 Se\n0.571259 0.917845 0.395483 Se\n0.250000 0.370111 0.802204 Se\n0.914191 0.449035 0.850742 Se\n0.750000 0.266707 0.970243 Se\n0.085809 0.550965 0.149258 Se\n0.750000 0.395232 0.790779 Se\n0.250000 0.604768 0.209221 Se\n0.535689 0.212795 0.957228 Se\n0.250000 0.578962 0.649932 Se\n0.111247 0.046622 0.785627 Se\n0.037015 0.539988 0.629561 Se\n0.912482 0.507068 0.199474 Se\n0.886684 0.207906 0.633506 Se\n0.386684 0.792094 0.366494 Se\n0.962985 0.460012 0.370439 Se\n0.537015 0.460012 0.370439 Se\n0.425973 0.048601 0.260358 Se\n0.613316 0.207906 0.633506 Se\n0.750000 0.629889 0.197796 Se\n0.587518 0.507068 0.199474 Se\n0.964311 0.212795 0.957228 Se\n0.071259 0.082155 0.604517 Se\n0.414191 0.550965 0.149258 Se\n0.250000 0.733293 0.029757 Se\n0.750000 0.421038 0.350068 Se\n0.113316 0.792094 0.366494 Se\n0.585809 0.449035 0.850742 Se\n0.412482 0.492932 0.800526 Se\n0.611247 0.953378 0.214373 Se\n0.928741 0.917845 0.395483 Se\n0.464311 0.787205 0.042772 Se\n0.035689 0.787205 0.042772 Se\n0.888753 0.953378 0.214373 Se\n0.074027 0.048601 0.260358 Se\n0.574027 0.951399 0.739642 Se\n0.388753 0.046622 0.785627 Se\n0.149568 0.108479 0.015197 Cl\n0.149039 0.416565 0.453439 Cl\n0.649039 0.583435 0.546561 Cl\n0.750000 0.858034 0.397019 Cl\n0.350432 0.108479 0.015197 Cl\n0.649568 0.891521 0.984803 Cl\n0.350961 0.416565 0.453439 Cl\n0.850432 0.891521 0.984803 Cl\n0.750000 0.982057 0.773109 Cl\n0.850961 0.583435 0.546561 Cl\n0.250000 0.017943 0.226891 Cl\n0.250000 0.141966 0.602981 Cl\n",
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}