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{
"id": "mp-653267",
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"structure_string": "Fe12 Sn4 C46 O46\n1.0\n8.974680 0.000000 0.000000\n-2.331232 12.454433 0.000000\n-4.135172 -2.405254 15.935825\nFe Sn C O\n12 4 46 46\ndirect\n0.644742 0.770610 0.735001 Fe\n0.174357 0.864590 0.143367 Fe\n0.726477 0.877463 0.599128 Fe\n0.273523 0.122537 0.400872 Fe\n0.103057 0.081441 0.838449 Fe\n0.355258 0.229390 0.264999 Fe\n0.825643 0.135410 0.856633 Fe\n0.171549 0.457921 0.834773 Fe\n0.023836 0.633576 0.334189 Fe\n0.828451 0.542079 0.165227 Fe\n0.896943 0.918559 0.161551 Fe\n0.976164 0.366424 0.665811 Fe\n0.176740 0.036957 0.243954 Sn\n0.987580 0.740341 0.207423 Sn\n0.823260 0.963043 0.756046 Sn\n0.012420 0.259659 0.792577 Sn\n0.185811 0.020616 0.450906 C\n0.869206 0.692943 0.357830 C\n0.814189 0.979384 0.549094 C\n0.706467 0.041296 0.900545 C\n0.160045 0.713905 0.424807 C\n0.507026 0.152986 0.265583 C\n0.143123 0.066006 0.737594 C\n0.668317 0.591771 0.192393 C\n0.000460 0.487623 0.862801 C\n0.293533 0.958704 0.099455 C\n0.435887 0.056737 0.403868 C\n0.387362 0.237285 0.478776 C\n0.812491 0.405967 0.696360 C\n0.093032 0.170918 0.383906 C\n0.520937 0.653227 0.663687 C\n0.492974 0.847014 0.734417 C\n0.292222 0.164584 0.892411 C\n0.231565 0.590923 0.809730 C\n0.331683 0.408229 0.807607 C\n0.768435 0.409077 0.190270 C\n0.855497 0.043938 0.131686 C\n0.964609 0.508806 0.371560 C\n0.838663 0.248949 0.931888 C\n0.564113 0.943263 0.596132 C\n0.839955 0.286095 0.575193 C\n0.612638 0.762715 0.521224 C\n0.328489 0.839535 0.226385 C\n0.130794 0.307057 0.642170 C\n0.906968 0.829082 0.616094 C\n0.639395 0.740633 0.836261 C\n0.268206 0.466407 0.942680 C\n0.707778 0.835417 0.107589 C\n0.971670 0.888211 0.062079 C\n0.035391 0.491194 0.628440 C\n0.856877 0.933994 0.262406 C\n0.821272 0.719936 0.746201 C\n0.028330 0.111789 0.937921 C\n0.999540 0.512377 0.137199 C\n0.360605 0.259367 0.163739 C\n0.479063 0.346773 0.336313 C\n0.187509 0.594033 0.303640 C\n0.161337 0.751051 0.068112 C\n0.671511 0.160465 0.773615 C\n0.731794 0.533593 0.057320 C\n0.144503 0.956062 0.868314 C\n0.178728 0.280064 0.253799 C\n0.750944 0.240526 0.512969 O\n0.557167 0.618987 0.202878 O\n0.101685 0.487916 0.113810 O\n0.442833 0.381013 0.797122 O\n0.223386 0.268090 0.619515 O\n0.556521 0.424768 0.380130 O\n0.434898 0.819843 0.274567 O\n0.419806 0.212920 0.925509 O\n0.724862 0.321965 0.203084 O\n0.124930 0.954021 0.482528 O\n0.163077 0.682815 0.016458 O\n0.069464 0.319318 0.243856 O\n0.605327 0.105779 0.262906 O\n0.898315 0.512084 0.886190 O\n0.929218 0.881161 0.988111 O\n0.976037 0.199984 0.377919 O\n0.394673 0.894221 0.737094 O\n0.334990 0.476846 0.013182 O\n0.023963 0.800016 0.622081 O\n0.275138 0.678035 0.796916 O\n0.665010 0.523154 0.986818 O\n0.443479 0.575232 0.619870 O\n0.632298 0.716308 0.900861 O\n0.622036 0.987518 0.930768 O\n0.819770 0.946561 0.324331 O\n0.182830 0.877349 0.887964 O\n0.367702 0.283692 0.099139 O\n0.565102 0.180157 0.725433 O\n0.460814 0.988021 0.589568 O\n0.702248 0.432662 0.708691 O\n0.297752 0.567338 0.291309 O\n0.540680 0.688871 0.471265 O\n0.929827 0.430851 0.400054 O\n0.377964 0.012482 0.069232 O\n0.875070 0.045979 0.517472 O\n0.776614 0.731910 0.380485 O\n0.180230 0.053439 0.675669 O\n0.836923 0.317185 0.983542 O\n0.459320 0.311129 0.528735 O\n0.539186 0.011979 0.410432 O\n0.930536 0.680682 0.756144 O\n0.070173 0.569149 0.599946 O\n0.817170 0.122651 0.112036 O\n0.249056 0.759474 0.487031 O\n0.070782 0.118839 0.011889 O\n0.580194 0.787080 0.074491 O\n",
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{
"id": "mp-1197880",
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"structure_string": "Er8 Ag8 S16\n1.0\n7.661856 0.000000 0.000000\n0.000000 7.660760 0.000000\n0.000000 0.019619 12.200177\nEr Ag S\n8 8 16\ndirect\n0.501752 0.747130 0.001643 Er\n0.001752 0.252870 0.998357 Er\n0.253822 0.000604 0.754570 Er\n0.753822 0.999396 0.245430 Er\n0.748224 0.497820 0.746298 Er\n0.248224 0.502180 0.253702 Er\n0.001796 0.753003 0.503189 Er\n0.501796 0.246997 0.496811 Er\n0.250369 0.502568 0.780282 Ag\n0.750369 0.497432 0.219718 Ag\n0.754280 0.997369 0.704232 Ag\n0.254280 0.002631 0.295768 Ag\n0.003656 0.751857 0.018569 Ag\n0.503656 0.248143 0.981431 Ag\n0.501357 0.744718 0.515439 Ag\n0.001357 0.255282 0.484561 Ag\n0.770143 0.017500 0.468750 S\n0.270143 0.982500 0.531250 S\n0.240019 0.486945 0.479255 S\n0.740019 0.513055 0.520745 S\n0.523477 0.728838 0.227827 S\n0.023477 0.271162 0.772173 S\n0.481545 0.728734 0.777603 S\n0.981545 0.271266 0.222397 S\n0.981851 0.768823 0.729552 S\n0.481851 0.231177 0.270448 S\n0.526204 0.225525 0.719791 S\n0.026204 0.774475 0.280209 S\n0.273632 0.021031 0.978732 S\n0.773632 0.978969 0.021268 S\n0.730872 0.478397 0.969735 S\n0.230872 0.521603 0.030265 S\n",
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"spacegroup": 4
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{
"id": "mp-21957",
"created_at": "2022-09-04T14:46:20.530533Z",
"structure_string": "K4 Ni16 P12 O48\n1.0\n6.212258 0.000000 0.000000\n0.000000 9.588335 0.000000\n0.000000 0.000000 16.403496\nK Ni P O\n4 16 12 48\ndirect\n0.500000 0.703195 0.031493 K\n0.500000 0.296805 0.968507 K\n0.000000 0.203195 0.468507 K\n0.000000 0.796805 0.531493 K\n0.500000 0.533448 0.592522 Ni\n0.500000 0.466552 0.407478 Ni\n0.000000 0.033448 0.907478 Ni\n0.000000 0.966552 0.092522 Ni\n0.500000 0.012292 0.357747 Ni\n0.500000 0.987708 0.642253 Ni\n0.000000 0.512292 0.142253 Ni\n0.000000 0.487708 0.857747 Ni\n0.750445 0.752200 0.296321 Ni\n0.750445 0.247800 0.703679 Ni\n0.749555 0.252200 0.203679 Ni\n0.749555 0.747800 0.796321 Ni\n0.249555 0.247800 0.703679 Ni\n0.249555 0.752200 0.296321 Ni\n0.250445 0.747800 0.796321 Ni\n0.250445 0.252200 0.203679 Ni\n0.500000 0.960661 0.162899 P\n0.500000 0.039339 0.837101 P\n0.000000 0.460661 0.337101 P\n0.000000 0.539339 0.662899 P\n0.500000 0.546980 0.220058 P\n0.500000 0.453020 0.779942 P\n0.000000 0.046980 0.279942 P\n0.000000 0.953020 0.720058 P\n0.500000 0.793997 0.463675 P\n0.500000 0.206003 0.536325 P\n0.000000 0.293997 0.036325 P\n0.000000 0.706003 0.963675 P\n0.500000 0.122634 0.174985 O\n0.500000 0.877366 0.825015 O\n0.000000 0.622634 0.325015 O\n0.000000 0.377366 0.674985 O\n0.500000 0.614412 0.774629 O\n0.500000 0.385588 0.225371 O\n0.000000 0.114412 0.725371 O\n0.000000 0.885588 0.274629 O\n0.700855 0.912849 0.117723 O\n0.700855 0.087151 0.882277 O\n0.799145 0.412849 0.382277 O\n0.799145 0.587151 0.617723 O\n0.299145 0.087151 0.882277 O\n0.299145 0.912849 0.117723 O\n0.200855 0.587151 0.617723 O\n0.200855 0.412849 0.382277 O\n0.500000 0.609660 0.310305 O\n0.500000 0.390340 0.689695 O\n0.000000 0.109660 0.189695 O\n0.000000 0.890340 0.810305 O\n0.500000 0.888650 0.252471 O\n0.500000 0.111350 0.747529 O\n0.000000 0.388650 0.247529 O\n0.000000 0.611350 0.752471 O\n0.500000 0.135109 0.454159 O\n0.500000 0.864891 0.545841 O\n0.000000 0.635109 0.045841 O\n0.000000 0.364891 0.954159 O\n0.697935 0.840170 0.409818 O\n0.697935 0.159830 0.590182 O\n0.802065 0.340170 0.090182 O\n0.802065 0.659830 0.909818 O\n0.302065 0.159830 0.590182 O\n0.302065 0.840170 0.409818 O\n0.197935 0.659830 0.909818 O\n0.197935 0.340170 0.090182 O\n0.708038 0.606631 0.182252 O\n0.708038 0.393369 0.817748 O\n0.791962 0.106631 0.317748 O\n0.791962 0.893369 0.682252 O\n0.291962 0.393369 0.817748 O\n0.291962 0.606631 0.182252 O\n0.208038 0.893369 0.682252 O\n0.208038 0.106631 0.317748 O\n0.500000 0.634347 0.479983 O\n0.500000 0.365653 0.520017 O\n0.000000 0.134347 0.020017 O\n0.000000 0.865653 0.979983 O\n",
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{
"id": "mp-1027530",
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"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n1.652686 -2.862536 0.000000\n1.652686 2.862536 0.000000\n0.000000 0.000000 39.650625\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333333 0.666667 0.422074 Te\n0.333333 0.666667 0.518558 Te\n0.000000 0.000000 0.093770 Mo\n0.000000 0.000000 0.470311 Mo\n0.333333 0.666667 0.280413 Mo\n0.333333 0.666667 0.658410 W\n0.000000 0.000000 0.322748 Se\n0.000000 0.000000 0.238119 Se\n0.000000 0.000000 0.697103 S\n0.333333 0.666667 0.055187 S\n0.333333 0.666667 0.132363 S\n0.000000 0.000000 0.619691 S\n",
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{
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"structure_string": "Mo4 S12 N8 Cl32\n1.0\n16.692566 0.000000 0.000000\n0.000000 7.676201 0.000000\n0.000000 5.150839 11.924671\nMo S N Cl\n4 12 8 32\ndirect\n0.822636 0.062324 0.789979 Mo\n0.322636 0.937676 0.710021 Mo\n0.677364 0.062324 0.289979 Mo\n0.177364 0.937676 0.210021 Mo\n0.344380 0.863080 0.473954 S\n0.126354 0.467816 0.771965 S\n0.626354 0.532184 0.728035 S\n0.464876 0.348835 0.798562 S\n0.155620 0.863080 0.973954 S\n0.373646 0.467816 0.271965 S\n0.655620 0.136920 0.526046 S\n0.844380 0.136920 0.026046 S\n0.964876 0.651165 0.701438 S\n0.035124 0.348835 0.298562 S\n0.873646 0.532184 0.228035 S\n0.535124 0.651165 0.201438 S\n0.166348 0.882545 0.088423 N\n0.333652 0.882545 0.588423 N\n0.040484 0.546297 0.764444 N\n0.959516 0.453703 0.235556 N\n0.833652 0.117455 0.911577 N\n0.666348 0.117455 0.411577 N\n0.540484 0.453703 0.735556 N\n0.459516 0.546297 0.264444 N\n0.187439 0.042236 0.369176 Cl\n0.958333 0.123286 0.737472 Cl\n0.683928 0.019924 0.808217 Cl\n0.816072 0.019924 0.308217 Cl\n0.541667 0.123286 0.237472 Cl\n0.830693 0.488368 0.381688 Cl\n0.980873 0.736868 0.533813 Cl\n0.649983 0.738707 0.401363 Cl\n0.959901 0.250185 0.016890 Cl\n0.797663 0.386434 0.660433 Cl\n0.519127 0.736868 0.033813 Cl\n0.041667 0.876714 0.262528 Cl\n0.297663 0.613566 0.839567 Cl\n0.702337 0.386434 0.160433 Cl\n0.459901 0.749815 0.483110 Cl\n0.480873 0.263132 0.966187 Cl\n0.202337 0.613566 0.339567 Cl\n0.149983 0.261293 0.098637 Cl\n0.312561 0.042236 0.869176 Cl\n0.669307 0.488368 0.881688 Cl\n0.458333 0.876714 0.762528 Cl\n0.350017 0.261293 0.598637 Cl\n0.183928 0.980076 0.691783 Cl\n0.850017 0.738707 0.901363 Cl\n0.812561 0.957764 0.630824 Cl\n0.019127 0.263132 0.466187 Cl\n0.540099 0.250185 0.516890 Cl\n0.040099 0.749815 0.983110 Cl\n0.687439 0.957764 0.130824 Cl\n0.169307 0.511632 0.618312 Cl\n0.316072 0.980076 0.191783 Cl\n0.330693 0.511632 0.118312 Cl\n",
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{
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"structure_string": "Tb2 Ga4 Ni2\n1.0\n2.049966 -5.068278 0.000000\n2.049966 5.068278 0.000000\n0.000000 0.000000 6.651192\nTb Ga Ni\n2 4 2\ndirect\n0.572197 0.427803 0.250000 Tb\n0.427803 0.572197 0.750000 Tb\n0.855372 0.144628 0.444439 Ga\n0.144628 0.855372 0.555561 Ga\n0.855372 0.144628 0.055561 Ga\n0.144628 0.855372 0.944439 Ga\n0.290715 0.709285 0.250000 Ni\n0.709285 0.290715 0.750000 Ni\n",
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{
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{
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}