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{
"id": "mp-1040451",
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"structure_string": "Li20 Si3 P3 S23 Cl1\n1.0\n8.783112 0.000000 0.000000\n0.000000 8.776288 0.000000\n0.000000 0.066439 12.751370\nLi Si P S Cl\n20 3 3 23 1\ndirect\n0.235685 0.766158 0.300566 Li\n0.770279 0.225410 0.291377 Li\n0.727360 0.734383 0.781961 Li\n0.270631 0.267507 0.788468 Li\n0.764315 0.766158 0.300566 Li\n0.229721 0.225410 0.291377 Li\n0.272640 0.734383 0.781961 Li\n0.729369 0.267507 0.788468 Li\n0.500000 0.001480 0.932496 Li\n0.500000 0.000760 0.452288 Li\n0.000000 0.504996 0.558354 Li\n0.000000 0.491894 0.039038 Li\n0.745381 0.747963 0.010084 Li\n0.248247 0.254053 0.020441 Li\n0.248823 0.730676 0.541960 Li\n0.750205 0.274015 0.541789 Li\n0.751177 0.730676 0.541960 Li\n0.249795 0.274015 0.541789 Li\n0.254619 0.747963 0.010084 Li\n0.751753 0.254053 0.020441 Li\n0.000000 0.499446 0.805315 Si\n0.000000 0.486193 0.317864 Si\n0.500000 0.001201 0.692696 Si\n0.500000 0.998481 0.186726 P\n0.000000 0.999670 0.499571 P\n0.500000 0.502003 0.006334 P\n0.805405 0.997531 0.408162 S\n0.194595 0.997531 0.408162 S\n0.500000 0.693853 0.910877 S\n0.500000 0.307238 0.915613 S\n0.307653 0.502543 0.096780 S\n0.692347 0.502543 0.096780 S\n0.000000 0.811064 0.594676 S\n0.000000 0.190935 0.590309 S\n0.696925 0.997547 0.097154 S\n0.303075 0.997547 0.097154 S\n0.500000 0.797806 0.598117 S\n0.500000 0.202304 0.595034 S\n0.204227 0.504681 0.403490 S\n0.795773 0.504681 0.403490 S\n0.000000 0.698563 0.904228 S\n0.000000 0.296873 0.902343 S\n0.302208 0.001042 0.789252 S\n0.697792 0.001042 0.789252 S\n0.500000 0.191367 0.276154 S\n0.500000 0.806353 0.278810 S\n0.803132 0.499784 0.705089 S\n0.196868 0.499784 0.705089 S\n0.000000 0.311400 0.207186 S\n0.000000 0.699529 0.217245 Cl\n",
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{
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"structure_string": "Al6 C3 N2\n1.0\n3.479443 0.000000 0.000000\n0.000000 4.164787 0.000000\n0.000000 1.885124 9.037058\nAl C N\n6 3 2\ndirect\n0.500000 0.276887 0.749973 Al\n0.500000 0.072133 0.392282 Al\n0.000000 0.512417 0.512599 Al\n0.500000 0.628403 0.143473 Al\n0.000000 0.757733 0.835234 Al\n0.000000 0.162235 0.063826 Al\n0.500000 0.105232 0.181406 C\n0.500000 0.703288 0.578688 C\n0.000000 0.261688 0.838149 C\n0.000000 0.665480 0.052597 N\n0.500000 0.827810 0.716584 N\n",
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"volume": 130.95726339085417,
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"formula_full": "Al6 C3 N2",
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{
"id": "mp-774373",
"created_at": "2022-09-04T14:44:24.184871Z",
"structure_string": "Li6 Mn2 Fe4 B6 O18\n1.0\n3.148980 0.000000 0.000000\n0.000000 8.260208 0.000000\n0.000000 0.028071 14.304092\nLi Mn Fe B O\n6 2 4 6 18\ndirect\n0.500000 0.707292 0.992662 Li\n0.500000 0.660592 0.357944 Li\n0.500000 0.634975 0.649838 Li\n0.500000 0.206914 0.490148 Li\n0.500000 0.156770 0.856831 Li\n0.500000 0.132026 0.151664 Li\n0.000000 0.366466 0.005966 Mn\n0.000000 0.307948 0.679879 Mn\n0.000000 0.863346 0.503755 Fe\n0.000000 0.824014 0.816594 Fe\n0.000000 0.812171 0.180162 Fe\n0.000000 0.324649 0.316511 Fe\n0.500000 0.997175 0.665919 B\n0.000000 0.998773 0.999292 B\n0.500000 0.000178 0.333334 B\n0.500000 0.500696 0.168566 B\n0.000000 0.502069 0.499812 B\n0.500000 0.502554 0.833185 B\n0.500000 0.987712 0.430378 O\n0.500000 0.981200 0.762660 O\n0.500000 0.861480 0.608351 O\n0.500000 0.861117 0.278438 O\n0.000000 0.845710 0.958231 O\n0.500000 0.654100 0.127999 O\n0.500000 0.652600 0.789363 O\n0.000000 0.640497 0.443702 O\n0.000000 0.516396 0.596194 O\n0.500000 0.492582 0.930385 O\n0.500000 0.483117 0.265389 O\n0.500000 0.362526 0.112049 O\n0.500000 0.360840 0.780440 O\n0.000000 0.348949 0.457809 O\n0.500000 0.151569 0.625135 O\n0.500000 0.152460 0.291037 O\n0.000000 0.136437 0.943551 O\n0.000000 0.012101 0.096827 O\n",
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{
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"created_at": "2022-09-04T14:44:24.586773Z",
"structure_string": "Ho2 Mo4 O12\n1.0\n7.833676 0.000000 0.000000\n0.000000 5.379881 0.000000\n0.000000 0.014639 5.634064\nHo Mo O\n2 4 12\ndirect\n0.500000 0.982661 0.075681 Ho\n0.000000 0.475503 0.428805 Ho\n0.249015 0.992621 0.509500 Mo\n0.750985 0.992621 0.509500 Mo\n0.750558 0.496499 0.985850 Mo\n0.249442 0.496499 0.985850 Mo\n0.000000 0.875183 0.525888 O\n0.307004 0.831847 0.801595 O\n0.692996 0.831847 0.801595 O\n0.293380 0.712271 0.282363 O\n0.706620 0.712271 0.282363 O\n0.000000 0.573392 0.038480 O\n0.500000 0.383072 0.977574 O\n0.807855 0.317223 0.687075 O\n0.192145 0.317223 0.687075 O\n0.207227 0.202223 0.229585 O\n0.792773 0.202223 0.229585 O\n0.500000 0.079273 0.462392 O\n",
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{
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"structure_string": "Pr4 In5 Cu19\n1.0\n5.135515 0.000000 0.000000\n0.000000 8.489767 0.000000\n0.000000 0.081592 10.747790\nPr In Cu\n4 5 19\ndirect\n0.000000 0.756446 0.936964 Pr\n0.000000 0.254642 0.566854 Pr\n0.500000 0.241060 0.048246 Pr\n0.500000 0.746251 0.443655 Pr\n0.000000 0.640298 0.638982 In\n0.000000 0.140171 0.861414 In\n0.500000 0.363255 0.369885 In\n0.500000 0.863491 0.137681 In\n0.000000 0.312084 0.242186 In\n0.000000 0.045777 0.102247 Cu\n0.000000 0.567493 0.396764 Cu\n0.500000 0.940648 0.892066 Cu\n0.500000 0.443747 0.609222 Cu\n0.251093 0.933780 0.689370 Cu\n0.747538 0.433933 0.810946 Cu\n0.743910 0.055850 0.313594 Cu\n0.254515 0.576730 0.186536 Cu\n0.256090 0.055850 0.313594 Cu\n0.745485 0.576730 0.186536 Cu\n0.748907 0.933780 0.689370 Cu\n0.252462 0.433933 0.810946 Cu\n0.000000 0.422475 0.009092 Cu\n0.000000 0.917100 0.486346 Cu\n0.500000 0.580996 0.984520 Cu\n0.500000 0.081073 0.516469 Cu\n0.000000 0.814674 0.257947 Cu\n0.500000 0.684301 0.756602 Cu\n0.500000 0.183435 0.741965 Cu\n",
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{
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"structure_string": "V1 Sb3 P4 O16\n1.0\n4.890001 -0.193981 -0.006649\n-0.398474 10.163212 0.003553\n-0.009242 0.002033 6.855552\nV Sb P O\n1 3 4 16\ndirect\n0.931115 0.271300 0.248531 V\n0.094959 0.715478 0.750673 Sb\n0.406292 0.201344 0.749205 Sb\n0.588731 0.797022 0.250854 Sb\n0.117349 0.599102 0.249671 P\n0.322271 0.101581 0.250381 P\n0.690566 0.911282 0.749599 P\n0.869344 0.390854 0.750543 P\n0.123286 0.449441 0.250177 O\n0.283278 0.669096 0.075659 O\n0.285563 0.669346 0.422950 O\n0.180868 0.374575 0.749975 O\n0.374373 0.899587 0.750348 O\n0.186520 0.176485 0.076668 O\n0.187837 0.176606 0.423841 O\n0.248426 0.953969 0.250433 O\n0.792496 0.055578 0.749584 O\n0.806722 0.827383 0.574877 O\n0.809204 0.827123 0.923548 O\n0.634545 0.132526 0.250279 O\n0.814677 0.629322 0.250300 O\n0.719557 0.317243 0.571247 O\n0.721415 0.317223 0.930155 O\n0.810608 0.536536 0.750502 O\n",
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{
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"structure_string": "Fe18 O18 F18\n1.0\n3.104884 0.000000 0.000000\n0.000000 14.219413 0.000000\n0.000000 0.060271 14.273481\nFe O F\n18 18 18\ndirect\n0.000000 0.988078 0.996020 Fe\n0.000000 0.987555 0.333503 Fe\n0.000000 0.999163 0.664587 Fe\n0.500000 0.848873 0.165707 Fe\n0.500000 0.850118 0.502202 Fe\n0.500000 0.851605 0.826331 Fe\n0.000000 0.658784 0.991913 Fe\n0.000000 0.656314 0.333469 Fe\n0.000000 0.655205 0.663943 Fe\n0.500000 0.512065 0.498982 Fe\n0.500000 0.499292 0.186306 Fe\n0.500000 0.512046 0.829474 Fe\n0.000000 0.327869 0.004171 Fe\n0.000000 0.327143 0.323959 Fe\n0.000000 0.320680 0.665188 Fe\n0.500000 0.178058 0.165073 Fe\n0.500000 0.163566 0.516356 Fe\n0.500000 0.164116 0.813055 Fe\n0.500000 0.937276 0.268109 O\n0.500000 0.934097 0.603815 O\n0.500000 0.936831 0.934571 O\n0.000000 0.896824 0.100050 O\n0.000000 0.897571 0.434729 O\n0.000000 0.895605 0.765051 O\n0.500000 0.607004 0.266501 O\n0.500000 0.600680 0.602920 O\n0.500000 0.597594 0.939047 O\n0.000000 0.562950 0.433692 O\n0.000000 0.565243 0.770529 O\n0.000000 0.433265 0.233064 O\n0.500000 0.264366 0.270235 O\n0.500000 0.272039 0.601391 O\n0.000000 0.233408 0.099949 O\n0.000000 0.235507 0.772402 O\n0.000000 0.100575 0.562741 O\n0.500000 0.061634 0.731307 O\n0.000000 0.768573 0.232237 F\n0.000000 0.765467 0.566212 F\n0.000000 0.766367 0.900671 F\n0.500000 0.727181 0.066060 F\n0.500000 0.729951 0.733456 F\n0.500000 0.731605 0.399088 F\n0.000000 0.564100 0.102805 F\n0.000000 0.434914 0.566655 F\n0.000000 0.429327 0.900360 F\n0.500000 0.403792 0.061607 F\n0.500000 0.394984 0.402093 F\n0.500000 0.401098 0.734943 F\n0.500000 0.269707 0.934916 F\n0.000000 0.234392 0.435385 F\n0.000000 0.101658 0.228856 F\n0.000000 0.106881 0.903964 F\n0.500000 0.066535 0.067253 F\n0.500000 0.070475 0.393095 F\n",
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{
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"structure_string": "Li12 Mn3 Fe1 P4 C4 O28\n1.0\n6.594217 0.000000 0.000000\n0.000000 8.535621 0.000000\n0.000000 0.791067 9.980207\nLi Mn Fe P C O\n12 3 1 4 4 28\ndirect\n0.000000 0.909308 0.621234 Li\n0.000000 0.908756 0.121094 Li\n0.223056 0.726817 0.877059 Li\n0.776944 0.726817 0.877059 Li\n0.222765 0.726533 0.376958 Li\n0.777235 0.726533 0.376958 Li\n0.724280 0.273122 0.623218 Li\n0.275720 0.273122 0.623218 Li\n0.724065 0.273283 0.123106 Li\n0.275935 0.273283 0.123106 Li\n0.500000 0.090901 0.878755 Li\n0.500000 0.090127 0.378542 Li\n0.500000 0.659420 0.610458 Mn\n0.500000 0.659560 0.109985 Mn\n0.000000 0.340799 0.889877 Mn\n0.000000 0.336523 0.393287 Fe\n0.000000 0.590308 0.639651 P\n0.000000 0.588675 0.140731 P\n0.500000 0.410041 0.859883 P\n0.500000 0.410648 0.359394 P\n0.500000 0.967041 0.647777 C\n0.500000 0.966979 0.147769 C\n0.000000 0.032836 0.852303 C\n0.000000 0.033991 0.351848 C\n0.500000 0.929981 0.524715 O\n0.000000 0.887146 0.822982 O\n0.500000 0.929970 0.024833 O\n0.500000 0.855763 0.744733 O\n0.000000 0.888377 0.322968 O\n0.500000 0.855671 0.244840 O\n0.184284 0.690027 0.586472 O\n0.815716 0.690027 0.586472 O\n0.183933 0.689357 0.087312 O\n0.816067 0.689357 0.087312 O\n0.500000 0.579381 0.905802 O\n0.000000 0.575862 0.796504 O\n0.500000 0.579171 0.406044 O\n0.000000 0.572983 0.297859 O\n0.500000 0.423979 0.702912 O\n0.000000 0.421272 0.592921 O\n0.500000 0.423760 0.202927 O\n0.000000 0.420827 0.092312 O\n0.315885 0.310375 0.913354 O\n0.684115 0.310375 0.913354 O\n0.686127 0.311324 0.412725 O\n0.313873 0.311324 0.412725 O\n0.000000 0.144366 0.755190 O\n0.500000 0.112997 0.676843 O\n0.000000 0.146158 0.255325 O\n0.000000 0.069977 0.975270 O\n0.500000 0.112910 0.177111 O\n0.000000 0.071862 0.474914 O\n",
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