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{
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{
"id": "mp-15988",
"created_at": "2022-09-04T14:46:39.923085Z",
"structure_string": "Li2 Cu1 Sb1\n1.0\n0.000000 3.166847 3.166847\n3.166847 0.000000 3.166847\n3.166847 3.166847 0.000000\nLi Cu Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 Sb\n",
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"volume": 63.520109932708664,
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"formula_full": "Li2 Cu1 Sb1",
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{
"id": "mp-707302",
"created_at": "2022-09-04T14:46:39.999127Z",
"structure_string": "Rb10 Al24 Cd7 Si24 O96\n1.0\n-17.822167 0.000000 0.000000\n-8.903820 -15.443424 0.000000\n-8.900810 -5.130481 14.581096\nRb Al Cd Si O\n10 24 7 24 96\ndirect\n0.740855 0.740701 0.272966 Rb\n0.589748 0.154733 0.588880 Rb\n0.156126 0.590716 0.587706 Rb\n0.591413 0.591396 0.157641 Rb\n0.250527 0.750504 0.250760 Rb\n0.750522 0.250303 0.251023 Rb\n0.160791 0.161682 0.587510 Rb\n0.590471 0.155229 0.163545 Rb\n0.155217 0.589455 0.163632 Rb\n0.249385 0.249552 0.250329 Rb\n0.607418 0.787973 0.963895 Al\n0.964903 0.608014 0.788560 Al\n0.788696 0.963321 0.607223 Al\n0.789036 0.138616 0.968962 Al\n0.139056 0.968809 0.789045 Al\n0.139120 0.602095 0.969526 Al\n0.214295 0.398197 0.860795 Al\n0.601883 0.137908 0.789035 Al\n0.970068 0.137272 0.602449 Al\n0.398902 0.027041 0.859341 Al\n0.139439 0.789582 0.601597 Al\n0.966543 0.789708 0.137191 Al\n0.026412 0.216146 0.860133 Al\n0.860023 0.215227 0.396169 Al\n0.605333 0.966163 0.138590 Al\n0.029413 0.857999 0.396839 Al\n0.396489 0.859706 0.214171 Al\n0.789236 0.604992 0.138793 Al\n0.858681 0.396919 0.030432 Al\n0.858254 0.029945 0.216103 Al\n0.215552 0.859541 0.029602 Al\n0.215858 0.028910 0.395427 Al\n0.029829 0.396291 0.214741 Al\n0.395870 0.214157 0.029738 Al\n0.998182 0.998961 0.007497 Cd\n0.994078 0.502012 0.002776 Cd\n0.502366 0.992746 0.002486 Cd\n0.999501 0.998833 0.494532 Cd\n0.167502 0.775458 0.777094 Cd\n0.779218 0.156762 0.780108 Cd\n0.215201 0.216080 0.854137 Cd\n0.789328 0.604158 0.963830 Si\n0.604900 0.964180 0.789205 Si\n0.964819 0.789135 0.604449 Si\n0.141920 0.788796 0.964861 Si\n0.966366 0.138583 0.789237 Si\n0.603603 0.140843 0.965999 Si\n0.140967 0.604691 0.788059 Si\n0.397004 0.210873 0.856467 Si\n0.142754 0.965751 0.603392 Si\n0.035365 0.399207 0.855266 Si\n0.788717 0.140162 0.603987 Si\n0.789721 0.964849 0.141256 Si\n0.210149 0.036462 0.856727 Si\n0.210911 0.854879 0.397631 Si\n0.964910 0.603827 0.141237 Si\n0.852996 0.036676 0.399845 Si\n0.603981 0.788856 0.141817 Si\n0.854337 0.398743 0.210919 Si\n0.399541 0.854122 0.036210 Si\n0.036997 0.853747 0.210370 Si\n0.855247 0.210328 0.036798 Si\n0.037398 0.210204 0.398059 Si\n0.399227 0.036964 0.210067 Si\n0.210221 0.397713 0.036888 Si\n0.686995 0.678541 0.983612 O\n0.410392 0.958417 0.969274 O\n0.971012 0.409079 0.958146 O\n0.777056 0.504911 0.001494 O\n0.632611 0.858573 0.851256 O\n0.852743 0.632115 0.858188 O\n0.505379 0.006481 0.774552 O\n0.958196 0.160532 0.969028 O\n0.160544 0.970965 0.957959 O\n0.679238 0.986338 0.687383 O\n0.987327 0.686754 0.678887 O\n0.217831 0.780709 0.995147 O\n0.858752 0.851018 0.633854 O\n0.155056 0.687703 0.975261 O\n0.682138 0.153653 0.975337 O\n0.000236 0.213350 0.779045 O\n0.003794 0.775417 0.505845 O\n0.957177 0.969027 0.409701 O\n0.506058 0.217757 0.996227 O\n0.854706 0.153042 0.849045 O\n0.157258 0.849075 0.852215 O\n0.979454 0.150076 0.687961 O\n0.160138 0.412670 0.969682 O\n0.157063 0.639408 0.849686 O\n0.640010 0.154620 0.854357 O\n0.410463 0.161111 0.957694 O\n0.154226 0.978412 0.680968 O\n0.318240 0.310309 0.844222 O\n0.036499 0.599080 0.840627 O\n0.594061 0.026797 0.843023 O\n0.850975 0.152418 0.641918 O\n0.157753 0.853903 0.640538 O\n0.216312 0.506060 0.777832 O\n0.495186 0.214493 0.775332 O\n0.968969 0.957519 0.163308 O\n0.776167 0.002977 0.214869 O\n0.218222 0.998196 0.505934 O\n0.156671 0.683092 0.687996 O\n0.688042 0.155397 0.682788 O\n0.146211 0.357888 0.849531 O\n0.356948 0.147010 0.849987 O\n0.017878 0.497860 0.775063 O\n0.841069 0.035788 0.597450 O\n0.027348 0.842544 0.595091 O\n0.028285 0.320222 0.841515 O\n0.309688 0.028243 0.843573 O\n0.851164 0.857025 0.157342 O\n0.779621 0.217852 0.506910 O\n0.218536 0.775554 0.496933 O\n0.145712 0.146656 0.849882 O\n0.687521 0.981590 0.150537 O\n0.981967 0.680248 0.149988 O\n0.969725 0.161621 0.412319 O\n0.161889 0.957520 0.411649 O\n0.004026 0.505793 0.214708 O\n0.633447 0.851428 0.158171 O\n0.857021 0.633472 0.158690 O\n0.311938 0.842369 0.321065 O\n0.841393 0.322093 0.312317 O\n0.774015 0.011948 0.499655 O\n0.211988 0.016256 0.776075 O\n0.025106 0.034012 0.842227 O\n0.505209 0.776914 0.216496 O\n0.775039 0.498131 0.216043 O\n0.845296 0.142951 0.368549 O\n0.144208 0.845942 0.367159 O\n0.411119 0.969918 0.162186 O\n0.957925 0.410496 0.162652 O\n0.679906 0.686612 0.156226 O\n0.838725 0.026710 0.322918 O\n0.597536 0.839625 0.036017 O\n0.365720 0.847381 0.142331 O\n0.846880 0.365683 0.144880 O\n0.841302 0.595358 0.026894 O\n0.026077 0.839374 0.311697 O\n0.846538 0.144318 0.142454 O\n0.143270 0.845730 0.143480 O\n0.498752 0.775571 0.010309 O\n0.037217 0.023470 0.598438 O\n0.011418 0.215520 0.498375 O\n0.012893 0.775125 0.212264 O\n0.322299 0.843508 0.022851 O\n0.845608 0.310832 0.022771 O\n0.143751 0.143682 0.368643 O\n0.776972 0.216889 0.008371 O\n0.026671 0.311274 0.321573 O\n0.322675 0.026240 0.311466 O\n0.842168 0.026187 0.035147 O\n0.036512 0.841623 0.022649 O\n0.499074 0.013134 0.214215 O\n0.145009 0.366329 0.142990 O\n0.367407 0.143657 0.144188 O\n0.217656 0.497020 0.009565 O\n0.026240 0.597055 0.035062 O\n0.597701 0.036258 0.024777 O\n0.311388 0.321092 0.023138 O\n",
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"elements": [
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],
"chemical_system": "Al-Cd-O-Rb-Si",
"density": 1.8615773276831362,
"density_atomic": 0.04011729136528531,
"volume": 4013.2320633022127,
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"formula_full": "Rb10 Al24 Cd7 Si24 O96",
"formula_reduced": "Rb10Al24Cd7(SiO4)24",
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"energy": -1203.91713932,
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"updated_at": "2021-11-28T01:37:43.335000Z",
"spacegroup": 1
},
{
"id": "mp-1038038",
"created_at": "2022-09-04T14:46:40.029927Z",
"structure_string": "Li1 Mg30 Mn1 O32\n1.0\n8.519578 0.000000 0.000000\n0.000000 8.519578 0.000000\n0.000000 0.000000 8.493952\nLi Mg Mn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250850 0.000000 0.254016 Mg\n0.250850 0.000000 0.745984 Mg\n0.749150 0.000000 0.254016 Mg\n0.749150 0.000000 0.745984 Mg\n0.250032 0.500000 0.251211 Mg\n0.250032 0.500000 0.748789 Mg\n0.749969 0.500000 0.251211 Mg\n0.749969 0.500000 0.748789 Mg\n0.000000 0.250850 0.254016 Mg\n0.000000 0.250850 0.745984 Mg\n0.500000 0.250032 0.251211 Mg\n0.500000 0.250032 0.748789 Mg\n0.000000 0.749150 0.254016 Mg\n0.000000 0.749150 0.745984 Mg\n0.500000 0.749969 0.251211 Mg\n0.500000 0.749969 0.748789 Mg\n0.251276 0.251276 0.000000 Mg\n0.247065 0.247065 0.500000 Mg\n0.748724 0.251276 0.000000 Mg\n0.752935 0.247065 0.500000 Mg\n0.251276 0.748724 0.000000 Mg\n0.247065 0.752935 0.500000 Mg\n0.748724 0.748724 0.000000 Mg\n0.752935 0.752935 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.250267 0.000000 O\n0.000000 0.253413 0.500000 O\n0.500000 0.249735 0.000000 O\n0.500000 0.250546 0.500000 O\n0.000000 0.749733 0.000000 O\n0.000000 0.746587 0.500000 O\n0.500000 0.750265 0.000000 O\n0.500000 0.749454 0.500000 O\n0.249297 0.249297 0.249204 O\n0.249297 0.249297 0.750796 O\n0.750703 0.249297 0.249204 O\n0.750703 0.249297 0.750796 O\n0.249297 0.750703 0.249204 O\n0.249297 0.750703 0.750796 O\n0.750703 0.750703 0.249204 O\n0.750703 0.750703 0.750796 O\n0.000000 0.000000 0.229526 O\n0.000000 0.000000 0.770474 O\n0.500000 0.000000 0.248411 O\n0.500000 0.000000 0.751589 O\n0.000000 0.500000 0.248411 O\n0.000000 0.500000 0.751589 O\n0.500000 0.500000 0.249234 O\n0.500000 0.500000 0.750766 O\n0.250267 0.000000 0.000000 O\n0.253413 0.000000 0.500000 O\n0.749733 0.000000 0.000000 O\n0.746587 0.000000 0.500000 O\n0.249735 0.500000 0.000000 O\n0.250546 0.500000 0.500000 O\n0.750265 0.500000 0.000000 O\n0.749454 0.500000 0.500000 O\n",
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{
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"structure_string": "Li4 Fe4 O2 F12\n1.0\n5.693488 0.000000 0.000000\n1.618628 6.869382 0.000000\n2.423501 2.681589 6.330826\nLi Fe O F\n4 4 2 12\ndirect\n0.677049 0.611821 0.771856 Li\n0.212359 0.867382 0.916887 Li\n0.787641 0.132618 0.083113 Li\n0.322951 0.388179 0.228144 Li\n0.759535 0.132772 0.585452 Fe\n0.676954 0.583564 0.273648 Fe\n0.323046 0.416436 0.726352 Fe\n0.240465 0.867228 0.414548 Fe\n0.513258 0.674683 0.515059 O\n0.486742 0.325317 0.484941 O\n0.964237 0.389423 0.377593 F\n0.580675 0.892944 0.768123 F\n0.859185 0.825067 0.093183 F\n0.666106 0.262429 0.800351 F\n0.907070 0.020392 0.355570 F\n0.708378 0.461604 0.068263 F\n0.291622 0.538396 0.931737 F\n0.092930 0.979608 0.644430 F\n0.333894 0.737571 0.199649 F\n0.140815 0.174933 0.906817 F\n0.419325 0.107056 0.231877 F\n0.035763 0.610577 0.622407 F\n",
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{
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"structure_string": "Zn2 Ge6\n1.0\n2.914461 -5.047994 0.000000\n2.914461 5.047994 0.000000\n0.000000 0.000000 5.122765\nZn Ge\n2 6\ndirect\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.168421 0.336842 0.250000 Ge\n0.663158 0.831579 0.250000 Ge\n0.168421 0.831579 0.250000 Ge\n0.831579 0.663158 0.750000 Ge\n0.336842 0.168421 0.750000 Ge\n0.831579 0.168421 0.750000 Ge\n",
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{
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"formula_full": "Si16 O32",
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{
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