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{
"id": "mp-1227070",
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{
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"structure_string": "Li12 Mn11 Fe1 P12 O48\n1.0\n18.522105 0.000000 0.000000\n0.000000 4.787970 0.000000\n0.000000 0.005505 10.542683\nLi Mn Fe P O\n12 11 1 12 48\ndirect\n0.916666 0.000016 0.999992 Li\n0.250046 0.999970 0.999996 Li\n0.083334 0.000016 0.999992 Li\n0.749954 0.999970 0.999996 Li\n0.583079 0.000083 0.999477 Li\n0.416921 0.000083 0.999477 Li\n0.083315 0.499937 0.500000 Li\n0.250126 0.499881 0.500102 Li\n0.749874 0.499881 0.500102 Li\n0.916685 0.499937 0.500000 Li\n0.417052 0.500180 0.500281 Li\n0.582948 0.500180 0.500281 Li\n0.000000 0.972364 0.281272 Mn\n0.666502 0.972014 0.281373 Mn\n0.333498 0.972014 0.281373 Mn\n0.666281 0.528131 0.781344 Mn\n0.333719 0.528131 0.781344 Mn\n0.000000 0.528037 0.781309 Mn\n0.166715 0.472120 0.218741 Mn\n0.833285 0.472120 0.218741 Mn\n0.500000 0.472752 0.218678 Mn\n0.166799 0.027986 0.718761 Mn\n0.833201 0.027986 0.718761 Mn\n0.500000 0.030888 0.718634 Fe\n0.166695 0.909555 0.408079 P\n0.833305 0.909555 0.408079 P\n0.500000 0.910695 0.408951 P\n0.166688 0.590420 0.907946 P\n0.833312 0.590420 0.907946 P\n0.500000 0.591462 0.906075 P\n0.000000 0.409588 0.091975 P\n0.666635 0.409575 0.091982 P\n0.333365 0.409575 0.091982 P\n0.000000 0.090099 0.591968 P\n0.666087 0.088882 0.592364 P\n0.333913 0.088882 0.592364 P\n0.166664 0.787585 0.544935 O\n0.833336 0.787585 0.544935 O\n0.500000 0.790722 0.546267 O\n0.233581 0.776797 0.338769 O\n0.099823 0.776834 0.338694 O\n0.900177 0.776834 0.338694 O\n0.766419 0.776797 0.338769 O\n0.566780 0.776828 0.339504 O\n0.433220 0.776828 0.339504 O\n0.000000 0.769257 0.595830 O\n0.666773 0.768084 0.595856 O\n0.333227 0.768084 0.595856 O\n0.000000 0.730579 0.096062 O\n0.333337 0.730514 0.096037 O\n0.666663 0.730514 0.096037 O\n0.233582 0.723282 0.838733 O\n0.099829 0.723502 0.838716 O\n0.766418 0.723282 0.838733 O\n0.566790 0.726542 0.837323 O\n0.900171 0.723502 0.838716 O\n0.433210 0.726542 0.837323 O\n0.166625 0.712359 0.044923 O\n0.833375 0.712359 0.044923 O\n0.500000 0.710918 0.043644 O\n0.000000 0.287666 0.955208 O\n0.666617 0.287831 0.955117 O\n0.333383 0.287831 0.955117 O\n0.066890 0.276648 0.161304 O\n0.933110 0.276648 0.161304 O\n0.733536 0.276572 0.161263 O\n0.400212 0.276637 0.161361 O\n0.266464 0.276572 0.161263 O\n0.599788 0.276637 0.161361 O\n0.166658 0.269530 0.903991 O\n0.833342 0.269530 0.903991 O\n0.500000 0.270056 0.902272 O\n0.166685 0.230568 0.404019 O\n0.500000 0.231547 0.403797 O\n0.833315 0.230568 0.404019 O\n0.066897 0.223064 0.661085 O\n0.933103 0.223064 0.661085 O\n0.732742 0.223290 0.661672 O\n0.267258 0.223290 0.661672 O\n0.401400 0.217817 0.662099 O\n0.598600 0.217817 0.662099 O\n0.000000 0.212154 0.454937 O\n0.666176 0.212578 0.455723 O\n0.333824 0.212578 0.455723 O\n",
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"spacegroup": 6
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{
"id": "mp-1016059",
"created_at": "2022-09-04T14:44:31.655842Z",
"structure_string": "Cr16 N32\n1.0\n-5.459630 5.459630 11.356998\n5.459630 -5.459630 11.356998\n5.459630 5.459630 -11.356998\nCr N\n16 32\ndirect\n0.329292 0.521649 0.493248 Cr\n0.028402 0.836044 0.506752 Cr\n0.721598 0.413956 0.993248 Cr\n0.420708 0.728351 0.006752 Cr\n0.329292 0.836044 0.807642 Cr\n0.028402 0.521649 0.192358 Cr\n0.721598 0.728351 0.307642 Cr\n0.420708 0.413956 0.692358 Cr\n0.163956 0.971598 0.493248 Cr\n0.478351 0.670708 0.506752 Cr\n0.271649 0.579292 0.993248 Cr\n0.586044 0.278402 0.006752 Cr\n0.163956 0.670708 0.192358 Cr\n0.478351 0.971598 0.807642 Cr\n0.271649 0.278402 0.692358 Cr\n0.586044 0.579292 0.307642 Cr\n0.445794 0.554206 0.500000 N\n0.054206 0.945794 0.500000 N\n0.695794 0.304206 0.000000 N\n0.304206 0.695794 0.000000 N\n0.445794 0.945794 0.891588 N\n0.054206 0.554206 0.108412 N\n0.695794 0.695794 0.391588 N\n0.304206 0.304206 0.608412 N\n0.422317 0.573804 0.848513 N\n0.725290 0.573804 0.151487 N\n0.024710 0.676196 0.348513 N\n0.327683 0.676196 0.651487 N\n0.426196 0.274710 0.848513 N\n0.426196 0.577683 0.151487 N\n0.323804 0.672317 0.348513 N\n0.323804 0.975290 0.651487 N\n0.581637 0.784715 0.203078 N\n0.581637 0.378560 0.796922 N\n0.168363 0.871440 0.703078 N\n0.168363 0.465285 0.296922 N\n0.621440 0.418363 0.203078 N\n0.215285 0.418363 0.796922 N\n0.534715 0.831637 0.703078 N\n0.128560 0.831637 0.296922 N\n0.375000 0.415252 0.540252 N\n0.875000 0.834748 0.459748 N\n0.875000 0.415252 0.040252 N\n0.375000 0.834748 0.959748 N\n0.165252 0.125000 0.540252 N\n0.584748 0.625000 0.459748 N\n0.165252 0.625000 0.040252 N\n0.584748 0.125000 0.959748 N\n",
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{
"id": "mp-631441",
"created_at": "2022-09-04T14:45:13.417709Z",
"structure_string": "Nb1 Bi2 Mo1\n1.0\n0.000000 3.531152 3.531152\n3.531152 0.000000 3.531152\n3.531152 3.531152 0.000000\nNb Bi Mo\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 Bi\n0.500000 0.500000 0.500000 Mo\n",
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"formula_full": "Nb1 Bi2 Mo1",
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{
"id": "mp-1030102",
"created_at": "2022-09-04T14:44:31.155256Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n1.697630 -2.940382 0.000000\n1.697630 2.940382 0.000000\n0.000000 0.000000 38.854667\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333333 0.666667 0.045659 Te\n0.333333 0.666667 0.421162 Te\n0.333333 0.666667 0.142173 Te\n0.333333 0.666667 0.518211 Te\n0.000000 0.000000 0.093894 Mo\n0.000000 0.000000 0.469665 W\n0.333333 0.666667 0.281773 W\n0.333333 0.666667 0.657530 W\n0.000000 0.000000 0.324475 Se\n0.000000 0.000000 0.239125 Se\n0.000000 0.000000 0.696322 S\n0.000000 0.000000 0.618760 S\n",
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{
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"structure_string": "Li8 Mn6 Co2 O16\n1.0\n2.546615 -0.016180 -1.339339\n-1.097235 39.103378 -1.656655\n-0.048293 0.050267 3.084206\nLi Mn Co O\n8 6 2 16\ndirect\n0.301798 0.061584 0.630062 Li\n0.803478 0.561977 0.631663 Li\n0.198150 0.438337 0.370953 Li\n0.697716 0.938079 0.369224 Li\n0.935919 0.187111 0.878505 Li\n0.435423 0.687441 0.877072 Li\n0.563093 0.312759 0.121467 Li\n0.064150 0.812741 0.121209 Li\n0.749241 0.750111 0.497823 Mn\n0.121013 0.624735 0.257734 Mn\n0.379633 0.875382 0.741458 Mn\n0.248677 0.249944 0.498612 Mn\n0.621740 0.124282 0.259891 Mn\n0.878284 0.375578 0.741776 Mn\n0.000504 0.999745 0.002236 Co\n0.500424 0.500231 0.999513 Co\n0.642049 0.027849 0.331692 O\n0.139711 0.528446 0.326053 O\n0.858915 0.472108 0.670237 O\n0.361314 0.971540 0.675741 O\n0.263201 0.153380 0.531116 O\n0.762395 0.653849 0.529275 O\n0.237105 0.346450 0.470694 O\n0.737923 0.846285 0.469630 O\n0.890236 0.279072 0.770603 O\n0.390973 0.779195 0.770212 O\n0.607851 0.220824 0.227705 O\n0.108069 0.721026 0.226423 O\n0.519759 0.404737 0.012235 O\n0.021502 0.904438 0.012950 O\n0.980628 0.095102 0.989656 O\n0.479129 0.595661 0.986579 O\n",
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{
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"structure_string": "Ba4 Sn4 N8\n1.0\n7.254361 0.096035 0.000000\n11.744933 5.794257 0.000000\n0.000000 0.000000 7.948493\nBa Sn N\n4 4 8\ndirect\n0.000000 0.178248 0.584041 Ba\n0.000000 0.821752 0.415959 Ba\n0.000000 0.321752 0.084041 Ba\n0.000000 0.678248 0.915959 Ba\n0.000000 0.436191 0.651479 Sn\n0.000000 0.563809 0.348521 Sn\n0.000000 0.063809 0.151479 Sn\n0.000000 0.936191 0.848521 Sn\n0.000000 0.096065 0.888118 N\n0.000000 0.903935 0.111882 N\n0.000000 0.403935 0.388118 N\n0.000000 0.596065 0.611882 N\n0.500000 0.599970 0.750000 N\n0.500000 0.900030 0.250000 N\n0.500000 0.400030 0.250000 N\n0.500000 0.099970 0.750000 N\n",
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{
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"structure_string": "K2 Li2 S2 O8\n1.0\n2.606945 -4.515362 0.000000\n2.606945 4.515362 0.000000\n0.000000 0.000000 8.812700\nK Li S O\n2 2 2 8\ndirect\n0.000000 0.000000 0.180288 K\n0.000000 0.000000 0.680288 K\n0.333333 0.666667 0.493234 Li\n0.666667 0.333333 0.993234 Li\n0.333333 0.666667 0.883056 S\n0.666667 0.333333 0.383056 S\n0.940229 0.339451 0.438015 O\n0.600778 0.660549 0.938015 O\n0.660549 0.600778 0.438015 O\n0.399222 0.059771 0.438015 O\n0.333333 0.666667 0.713878 O\n0.666667 0.333333 0.213878 O\n0.339451 0.940229 0.938015 O\n0.059771 0.399222 0.938015 O\n",
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{
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