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{
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{
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"structure_string": "Er2 C16 N8 Cl14\n1.0\n8.491424 0.000000 0.000000\n0.000000 8.946294 0.000000\n0.000000 0.000000 13.852231\nEr C N Cl\n2 16 8 14\ndirect\n0.361677 0.500000 0.500000 Er\n0.638323 0.000000 0.000000 Er\n0.118612 0.269299 0.675941 C\n0.118612 0.730701 0.324059 C\n0.881388 0.230701 0.175941 C\n0.881388 0.769299 0.824059 C\n0.944162 0.214235 0.535423 C\n0.944162 0.785765 0.464577 C\n0.055838 0.285765 0.035423 C\n0.055838 0.714235 0.964577 C\n0.381458 0.676732 0.156078 C\n0.381458 0.323268 0.843922 C\n0.618542 0.823268 0.656078 C\n0.618542 0.176732 0.343922 C\n0.657293 0.579154 0.172888 C\n0.657293 0.420846 0.827112 C\n0.342707 0.920846 0.672888 C\n0.342707 0.079154 0.327112 C\n0.042435 0.228401 0.604132 N\n0.042435 0.771599 0.395868 N\n0.957565 0.271599 0.104132 N\n0.957565 0.728401 0.895868 N\n0.532534 0.639024 0.157435 N\n0.532534 0.360976 0.842565 N\n0.467466 0.860976 0.657435 N\n0.467466 0.139024 0.342565 N\n0.399361 0.268251 0.609533 Cl\n0.399361 0.731749 0.390467 Cl\n0.600639 0.231749 0.109533 Cl\n0.600639 0.768251 0.890467 Cl\n0.644160 0.361982 0.382603 Cl\n0.644160 0.638018 0.617397 Cl\n0.355840 0.138018 0.882603 Cl\n0.355840 0.861982 0.117397 Cl\n0.169531 0.382567 0.391251 Cl\n0.169531 0.617433 0.608749 Cl\n0.830469 0.117433 0.891251 Cl\n0.830469 0.882567 0.108749 Cl\n0.908936 0.000000 0.500000 Cl\n0.091064 0.500000 0.000000 Cl\n",
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{
"id": "mp-553874",
"created_at": "2022-09-04T14:46:59.034199Z",
"structure_string": "Ba2 La1 Ag5 S6\n1.0\n2.144624 7.075703 0.000000\n-2.144624 7.075703 0.000000\n0.000000 1.022818 11.297318\nBa La Ag S\n2 1 5 6\ndirect\n0.749143 0.749143 0.707292 Ba\n0.250857 0.250857 0.292708 Ba\n0.500000 0.500000 0.500000 La\n0.648638 0.648638 0.035150 Ag\n0.351362 0.351362 0.964850 Ag\n0.019072 0.019072 0.744479 Ag\n0.980928 0.980928 0.255521 Ag\n0.000000 0.000000 0.000000 Ag\n0.413657 0.413657 0.742189 S\n0.157362 0.157362 0.898781 S\n0.842638 0.842638 0.101219 S\n0.586343 0.586343 0.257811 S\n0.868822 0.868822 0.448803 S\n0.131178 0.131178 0.551197 S\n",
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"spacegroup": 12
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{
"id": "mp-1227150",
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"structure_string": "Ca4 As12 F60\n1.0\n10.302916 0.000000 0.000000\n0.000000 10.659221 0.000000\n0.000000 0.000000 11.205096\nCa As F\n4 12 60\ndirect\n0.999800 0.128297 0.871281 Ca\n0.000200 0.628297 0.628719 Ca\n0.499800 0.371703 0.128719 Ca\n0.500200 0.871703 0.371281 Ca\n0.755630 0.067003 0.156629 As\n0.244370 0.567003 0.343371 As\n0.255630 0.432997 0.843371 As\n0.744370 0.932997 0.656629 As\n0.744265 0.433035 0.843519 As\n0.255735 0.933035 0.656481 As\n0.244265 0.066965 0.156481 As\n0.755735 0.566965 0.343519 As\n0.984855 0.753107 0.989529 As\n0.015145 0.253107 0.510471 As\n0.484855 0.746893 0.010471 As\n0.515145 0.246893 0.489529 As\n0.648256 0.002815 0.268344 F\n0.351744 0.502815 0.231656 F\n0.148256 0.497185 0.731656 F\n0.851744 0.997185 0.768344 F\n0.851510 0.497413 0.732086 F\n0.148490 0.997413 0.767914 F\n0.351510 0.002587 0.267914 F\n0.648490 0.502587 0.232086 F\n0.853819 0.934175 0.167889 F\n0.146181 0.434175 0.332111 F\n0.353819 0.565825 0.832111 F\n0.646181 0.065825 0.667889 F\n0.646794 0.565972 0.832921 F\n0.353206 0.065972 0.667079 F\n0.146794 0.934028 0.167079 F\n0.853206 0.434028 0.332921 F\n0.651470 0.203207 0.148437 F\n0.348530 0.703207 0.351563 F\n0.151470 0.296793 0.851563 F\n0.848530 0.796793 0.648437 F\n0.848082 0.296885 0.851457 F\n0.151918 0.796885 0.648543 F\n0.348082 0.203115 0.148543 F\n0.651918 0.703115 0.351457 F\n0.007672 0.915368 0.952004 F\n0.992328 0.415368 0.547996 F\n0.507672 0.584632 0.047996 F\n0.492328 0.084632 0.452004 F\n0.007464 0.702212 0.837741 F\n0.992536 0.202212 0.662259 F\n0.507464 0.797788 0.162259 F\n0.492536 0.297788 0.337741 F\n0.844760 0.143720 0.266202 F\n0.155240 0.643720 0.233798 F\n0.344760 0.356280 0.733798 F\n0.655240 0.856280 0.766202 F\n0.655452 0.356257 0.733177 F\n0.344548 0.856257 0.766823 F\n0.155452 0.143743 0.266823 F\n0.844548 0.643743 0.233177 F\n0.660414 0.999026 0.044692 F\n0.339586 0.499026 0.455308 F\n0.160414 0.500974 0.955308 F\n0.839586 0.000974 0.544692 F\n0.840232 0.499704 0.955880 F\n0.159768 0.999704 0.544120 F\n0.340232 0.000296 0.044120 F\n0.659768 0.500296 0.455880 F\n0.858124 0.133703 0.042846 F\n0.141876 0.633703 0.457154 F\n0.358124 0.366297 0.957154 F\n0.641876 0.866297 0.542846 F\n0.641885 0.365920 0.956815 F\n0.358115 0.865920 0.543185 F\n0.141885 0.134080 0.043185 F\n0.858115 0.634080 0.456815 F\n0.816303 0.760246 0.977802 F\n0.183697 0.260245 0.522198 F\n0.316303 0.739754 0.022198 F\n0.683697 0.239754 0.477802 F\n",
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"formula_full": "Ca4 As12 F60",
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"spacegroup": 19
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{
"id": "mp-19352",
"created_at": "2022-09-04T14:47:11.718402Z",
"structure_string": "K1 Al1 Mo2 O8\n1.0\n2.818948 -4.882561 0.000000\n2.818948 4.882561 0.000000\n0.000000 0.000000 7.318334\nK Al Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.229702 Mo\n0.666667 0.333333 0.770298 Mo\n0.314148 0.157074 0.845678 O\n0.842926 0.157074 0.845678 O\n0.842926 0.685852 0.845678 O\n0.157074 0.842926 0.154322 O\n0.333333 0.666667 0.468938 O\n0.666667 0.333333 0.531062 O\n0.157074 0.314148 0.154322 O\n0.685852 0.842926 0.154322 O\n",
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"formula_full": "K1 Al1 Mo2 O8",
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{
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"structure_string": "Fe6 C6 O21\n1.0\n4.279844 7.378624 0.000000\n-4.279844 7.378624 0.000000\n0.000000 0.099039 8.383166\nFe C O\n6 6 21\ndirect\n0.668208 0.666252 0.821952 Fe\n0.333748 0.331792 0.178048 Fe\n0.666274 0.666451 0.255980 Fe\n0.333549 0.333726 0.744020 Fe\n0.999556 0.002265 0.284935 Fe\n0.997735 0.000444 0.715065 Fe\n0.001755 0.339144 0.273863 C\n0.660856 0.998245 0.726137 C\n0.663535 0.000067 0.268014 C\n0.999933 0.336465 0.731986 C\n0.332915 0.664347 0.265736 C\n0.335653 0.667085 0.734264 C\n0.999697 0.000303 0.500000 O\n0.932109 0.240635 0.787248 O\n0.759365 0.067891 0.212752 O\n0.837360 0.424961 0.328873 O\n0.575039 0.162640 0.671127 O\n0.905297 0.510491 0.732119 O\n0.489509 0.094703 0.267881 O\n0.669462 0.669737 0.038315 O\n0.330263 0.330538 0.961685 O\n0.163874 0.259281 0.676211 O\n0.740719 0.836126 0.323789 O\n0.509956 0.586289 0.736036 O\n0.413711 0.490044 0.263964 O\n0.821807 0.932220 0.783451 O\n0.067780 0.178193 0.216549 O\n0.583249 0.901323 0.723908 O\n0.098677 0.416751 0.276092 O\n0.419062 0.743254 0.318041 O\n0.256746 0.580938 0.681959 O\n0.241075 0.831006 0.784384 O\n0.168994 0.758925 0.215616 O\n",
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"formula_full": "Fe6 C6 O21",
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{
"id": "mp-1209508",
"created_at": "2022-09-04T14:46:58.738349Z",
"structure_string": "Rb4 Mo12 Cl28\n1.0\n7.573356 9.928609 0.000000\n-7.573356 9.928609 0.000000\n0.000000 4.140112 8.573012\nRb Mo Cl\n4 12 28\ndirect\n0.931632 0.068368 0.750000 Rb\n0.068368 0.931632 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.569278 0.013058 0.637080 Mo\n0.430722 0.986942 0.362920 Mo\n0.986942 0.430722 0.862920 Mo\n0.013058 0.569278 0.137080 Mo\n0.362681 0.982087 0.659091 Mo\n0.637319 0.017913 0.340909 Mo\n0.017913 0.637319 0.840909 Mo\n0.982086 0.362681 0.159091 Mo\n0.547823 0.841410 0.554550 Mo\n0.452177 0.158590 0.445450 Mo\n0.158590 0.452177 0.945450 Mo\n0.841410 0.547823 0.054550 Mo\n0.390745 0.145589 0.727856 Cl\n0.609255 0.854411 0.272144 Cl\n0.854411 0.609255 0.772144 Cl\n0.145589 0.390745 0.227856 Cl\n0.614241 0.627903 0.632654 Cl\n0.385759 0.372097 0.367346 Cl\n0.372097 0.385759 0.867346 Cl\n0.627903 0.614241 0.132654 Cl\n0.479905 0.844352 0.832783 Cl\n0.520095 0.155648 0.167217 Cl\n0.155648 0.520095 0.667217 Cl\n0.844352 0.479905 0.332783 Cl\n0.350812 0.818854 0.571515 Cl\n0.649188 0.181146 0.428485 Cl\n0.181146 0.649188 0.928485 Cl\n0.818854 0.350812 0.071515 Cl\n0.740948 0.878698 0.530019 Cl\n0.259052 0.121302 0.469981 Cl\n0.121302 0.259052 0.969981 Cl\n0.878698 0.740948 0.030019 Cl\n0.660660 0.030065 0.815889 Cl\n0.339340 0.969935 0.184111 Cl\n0.969935 0.339340 0.684111 Cl\n0.030065 0.660660 0.315889 Cl\n0.822073 0.039169 0.132650 Cl\n0.177927 0.960831 0.867350 Cl\n0.960831 0.177927 0.367350 Cl\n0.039169 0.822073 0.632650 Cl\n",
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{
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"created_at": "2022-09-04T14:46:59.699664Z",
"structure_string": "Li4 Nb4 Zn4 O16\n1.0\n6.171852 0.000000 0.000000\n0.000000 6.171852 0.000000\n0.000000 0.000000 8.505393\nLi Nb Zn O\n4 4 4 16\ndirect\n0.219424 0.000000 0.250000 Li\n0.000000 0.219424 0.000000 Li\n0.000000 0.780576 0.500000 Li\n0.780576 0.000000 0.750000 Li\n0.786832 0.500000 0.750000 Nb\n0.213168 0.500000 0.250000 Nb\n0.500000 0.786832 0.500000 Nb\n0.500000 0.213168 0.000000 Nb\n0.259100 0.259100 0.625000 Zn\n0.259100 0.740900 0.875000 Zn\n0.740900 0.740900 0.125000 Zn\n0.740900 0.259100 0.375000 Zn\n0.265839 0.517370 0.483540 O\n0.517370 0.734161 0.733540 O\n0.482630 0.265839 0.233540 O\n0.734161 0.517370 0.516460 O\n0.734161 0.482630 0.983540 O\n0.016640 0.736693 0.246751 O\n0.482630 0.734161 0.266460 O\n0.517370 0.265839 0.766460 O\n0.263307 0.016640 0.996751 O\n0.983360 0.263307 0.746751 O\n0.736693 0.016640 0.003249 O\n0.263307 0.983360 0.503249 O\n0.983360 0.736693 0.753249 O\n0.736693 0.983360 0.496751 O\n0.016640 0.263307 0.253249 O\n0.265839 0.482630 0.016460 O\n",
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