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{
"id": "mp-1100558",
"created_at": "2022-09-04T14:46:16.190440Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.080861 0.000000 0.000000\n-1.342942 5.840864 0.000000\n-2.041112 -0.855616 9.988791\nLi Mn O\n9 7 16\ndirect\n0.500000 0.000000 0.000000 Li\n0.988721 0.869772 0.121553 Li\n0.011279 0.130228 0.878447 Li\n0.498560 0.737623 0.246076 Li\n0.997705 0.624853 0.371848 Li\n0.500000 0.500000 0.500000 Li\n0.002295 0.375147 0.628152 Li\n0.501440 0.262377 0.753924 Li\n0.500000 0.500000 0.000000 Li\n0.995432 0.611289 0.878592 Mn\n0.004568 0.388711 0.121408 Mn\n0.506357 0.263128 0.243505 Mn\n0.005170 0.129188 0.373144 Mn\n0.500000 0.000000 0.500000 Mn\n0.994830 0.870812 0.626856 Mn\n0.493643 0.736872 0.756495 Mn\n0.214969 0.660405 0.058824 O\n0.770948 0.557439 0.181116 O\n0.751134 0.802874 0.924657 O\n0.254400 0.438209 0.297646 O\n0.755403 0.305220 0.422349 O\n0.253377 0.181450 0.553144 O\n0.749219 0.050554 0.675625 O\n0.224198 0.897818 0.815235 O\n0.785031 0.339595 0.941176 O\n0.248866 0.197126 0.075343 O\n0.229052 0.442561 0.818884 O\n0.775802 0.102182 0.184765 O\n0.250781 0.949446 0.324375 O\n0.746623 0.818550 0.446856 O\n0.244597 0.694780 0.577651 O\n0.745600 0.561791 0.702354 O\n",
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"formula_full": "Li9 Mn7 O16",
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},
{
"id": "mp-1202358",
"created_at": "2022-09-04T14:46:24.051337Z",
"structure_string": "Sr2 Fe2 B2 P4 H4 O20\n1.0\n6.535212 -0.028531 -1.385605\n-2.076866 5.993032 -2.279619\n0.013239 -0.008462 9.392874\nSr Fe B P H O\n2 2 2 4 4 20\ndirect\n0.654741 0.888509 0.265631 Sr\n0.345259 0.111491 0.734369 Sr\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.971045 0.725501 0.753409 B\n0.028955 0.274499 0.246591 B\n0.642867 0.374940 0.167149 P\n0.357133 0.625060 0.832851 P\n0.791824 0.035306 0.676216 P\n0.208176 0.964694 0.323784 P\n0.794565 0.748343 0.916990 H\n0.205435 0.251657 0.083010 H\n0.843686 0.392739 0.588669 H\n0.156314 0.607261 0.411331 H\n0.581032 0.522011 0.307702 O\n0.418968 0.477989 0.692298 O\n0.781753 0.540357 0.114192 O\n0.218247 0.459643 0.885808 O\n0.440414 0.204859 0.036748 O\n0.559586 0.795141 0.963252 O\n0.799140 0.260803 0.235216 O\n0.200860 0.739197 0.764784 O\n0.868947 0.131211 0.564116 O\n0.131053 0.868789 0.435884 O\n0.572005 0.839072 0.590781 O\n0.427995 0.160928 0.409219 O\n0.762854 0.217374 0.816621 O\n0.237146 0.782626 0.183379 O\n0.966400 0.941898 0.747581 O\n0.033600 0.058102 0.252419 O\n0.923894 0.707140 0.895828 O\n0.076106 0.292860 0.104172 O\n0.819268 0.539207 0.604502 O\n0.180732 0.460793 0.395498 O\n",
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"density_atomic": 0.092571764879079,
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"formula_full": "Sr2 Fe2 B2 P4 H4 O20",
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"spacegroup": 2
},
{
"id": "mp-1195801",
"created_at": "2022-09-04T14:46:20.839958Z",
"structure_string": "Mn4 As8 H64 S32 N16\n1.0\n9.011743 0.000000 0.000000\n0.000000 9.407504 0.000000\n0.000000 6.604637 21.222658\nMn As H S N\n4 8 64 32 16\ndirect\n0.123703 0.627889 0.041361 Mn\n0.876297 0.372111 0.958639 Mn\n0.123703 0.372111 0.458639 Mn\n0.876297 0.627889 0.541361 Mn\n0.840567 0.397266 0.105248 As\n0.159433 0.602734 0.894752 As\n0.840567 0.602734 0.394752 As\n0.159433 0.397266 0.605248 As\n0.298139 0.815891 0.125219 As\n0.701861 0.184109 0.874781 As\n0.298139 0.184109 0.374781 As\n0.701861 0.815891 0.625219 As\n0.657139 0.418594 0.239772 H\n0.342861 0.581406 0.760228 H\n0.657139 0.581406 0.260228 H\n0.342861 0.418594 0.739772 H\n0.523126 0.546033 0.211049 H\n0.476874 0.453967 0.788951 H\n0.523126 0.453967 0.288951 H\n0.476874 0.546033 0.711049 H\n0.347869 0.819631 0.290268 H\n0.652131 0.180369 0.709732 H\n0.347869 0.180369 0.209732 H\n0.652131 0.819631 0.790268 H\n0.417669 0.891834 0.347662 H\n0.582331 0.108166 0.652338 H\n0.417669 0.108166 0.152338 H\n0.582331 0.891834 0.847662 H\n0.342323 0.717464 0.366404 H\n0.657677 0.282536 0.633596 H\n0.342323 0.282536 0.133596 H\n0.657677 0.717464 0.866404 H\n0.510291 0.754755 0.329836 H\n0.489709 0.245245 0.670164 H\n0.510291 0.245245 0.170164 H\n0.489709 0.754755 0.829836 H\n0.995433 0.522312 0.209281 H\n0.004567 0.477688 0.790719 H\n0.995433 0.477688 0.290719 H\n0.004567 0.522312 0.709281 H\n0.124659 0.405828 0.254418 H\n0.875341 0.594172 0.745582 H\n0.124659 0.594172 0.245582 H\n0.875341 0.405828 0.754418 H\n0.835493 0.049357 0.159352 H\n0.164507 0.950643 0.840648 H\n0.835493 0.950643 0.340648 H\n0.164507 0.049357 0.659352 H\n0.973848 0.919719 0.166194 H\n0.026152 0.080281 0.833806 H\n0.973848 0.080281 0.333806 H\n0.026152 0.919719 0.666194 H\n0.801273 0.892036 0.138950 H\n0.198727 0.107964 0.861050 H\n0.801273 0.107964 0.361050 H\n0.198727 0.892036 0.638950 H\n0.916507 0.022397 0.094626 H\n0.083493 0.977603 0.905374 H\n0.916507 0.977603 0.405374 H\n0.083493 0.022397 0.594626 H\n0.584672 0.802146 0.049047 H\n0.415328 0.197854 0.950953 H\n0.584672 0.197854 0.450953 H\n0.415328 0.802146 0.549047 H\n0.627189 0.665216 0.014478 H\n0.372811 0.334784 0.985522 H\n0.627189 0.334784 0.485522 H\n0.372811 0.665216 0.514478 H\n0.538199 0.827275 0.973496 H\n0.461801 0.172725 0.026504 H\n0.538199 0.172725 0.526504 H\n0.461801 0.827275 0.473496 H\n0.716234 0.833926 0.993502 H\n0.283766 0.166074 0.006498 H\n0.716234 0.166074 0.506498 H\n0.283766 0.833926 0.493502 H\n0.768309 0.249433 0.196281 S\n0.231691 0.750567 0.803719 S\n0.768309 0.750567 0.303719 S\n0.231691 0.249433 0.696281 S\n0.674366 0.409038 0.032015 S\n0.325634 0.590962 0.967985 S\n0.674366 0.590962 0.467985 S\n0.325634 0.409038 0.532015 S\n0.042168 0.327111 0.065367 S\n0.957832 0.672889 0.934633 S\n0.042168 0.672889 0.434633 S\n0.957832 0.327111 0.565367 S\n0.897510 0.619879 0.110485 S\n0.102490 0.380121 0.889515 S\n0.897510 0.380121 0.389515 S\n0.102490 0.619879 0.610485 S\n0.330489 0.581123 0.131026 S\n0.669511 0.418877 0.868974 S\n0.330489 0.418877 0.368974 S\n0.669511 0.581123 0.631026 S\n0.157366 0.901680 0.041209 S\n0.842634 0.098320 0.958791 S\n0.157366 0.098320 0.458791 S\n0.842634 0.901680 0.541209 S\n0.511804 0.931587 0.114821 S\n0.488196 0.068413 0.885179 S\n0.511804 0.068413 0.385179 S\n0.488196 0.931587 0.614821 S\n0.190185 0.844309 0.209029 S\n0.809815 0.155691 0.790971 S\n0.190185 0.155691 0.290971 S\n0.809815 0.844309 0.709029 S\n0.591095 0.500000 0.250000 N\n0.408905 0.500000 0.750000 N\n0.403925 0.795137 0.333598 N\n0.596075 0.204863 0.666402 N\n0.403925 0.204863 0.166402 N\n0.596075 0.795137 0.833598 N\n0.059838 0.500000 0.250000 N\n0.940162 0.500000 0.750000 N\n0.880349 0.970479 0.139988 N\n0.119651 0.029521 0.860012 N\n0.880349 0.029521 0.360012 N\n0.119651 0.970479 0.639988 N\n0.616643 0.779777 0.007426 N\n0.383357 0.220223 0.992574 N\n0.616643 0.220223 0.492574 N\n0.383357 0.779777 0.507426 N\n",
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"formula_full": "Mn4 As8 H64 S32 N16",
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{
"id": "mp-1362276",
"created_at": "2022-09-04T14:46:16.354415Z",
"structure_string": "Al10 Cu6 O24\n1.0\n2.883615 4.986929 0.000000\n-2.883615 4.986929 0.000000\n0.000000 0.064033 14.149193\nAl Cu O\n10 6 24\ndirect\n0.332490 0.332490 0.832001 Al\n0.332531 0.835778 0.830966 Al\n0.997955 0.997955 0.500864 Al\n0.835778 0.332531 0.830966 Al\n0.829465 0.829465 0.331351 Al\n0.998011 0.505274 0.501280 Al\n0.505274 0.998011 0.501280 Al\n0.667196 0.167143 0.164984 Al\n0.167143 0.667196 0.164984 Al\n0.162464 0.162464 0.042789 Al\n0.831317 0.831317 0.962945 Cu\n0.504186 0.504186 0.999694 Cu\n0.500276 0.500276 0.627340 Cu\n0.168349 0.168349 0.288196 Cu\n0.166853 0.166853 0.669852 Cu\n0.502006 0.502006 0.367465 Cu\n0.656384 0.656384 0.905671 O\n0.500302 0.500302 0.765352 O\n0.652521 0.197656 0.909063 O\n0.197656 0.652521 0.909063 O\n0.318039 0.318039 0.576676 O\n0.458666 0.021767 0.759008 O\n0.168408 0.168408 0.914641 O\n0.167115 0.167115 0.431792 O\n0.317575 0.864846 0.576692 O\n0.021767 0.458666 0.759008 O\n0.864846 0.317575 0.576692 O\n0.020442 0.020442 0.759354 O\n0.132723 0.684875 0.420474 O\n0.982946 0.982946 0.246343 O\n0.833687 0.833687 0.562753 O\n0.684875 0.132723 0.420474 O\n0.845386 0.845386 0.094324 O\n0.006986 0.531824 0.252103 O\n0.531824 0.006986 0.252103 O\n0.682601 0.682601 0.421081 O\n0.820563 0.314568 0.082770 O\n0.483139 0.483139 0.236654 O\n0.314568 0.820563 0.082770 O\n0.334510 0.334510 0.088893 O\n",
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{
"id": "mp-556954",
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"structure_string": "Ba20 Ru8 Cl8 O36\n1.0\n6.029613 0.000000 0.000000\n0.000000 14.528196 0.000000\n0.000000 0.000000 15.574968\nBa Ru Cl O\n20 8 8 36\ndirect\n0.750000 0.729989 0.502089 Ba\n0.250000 0.671733 0.790982 Ba\n0.750000 0.019977 0.372970 Ba\n0.250000 0.519977 0.127030 Ba\n0.750000 0.442187 0.430180 Ba\n0.250000 0.270011 0.497911 Ba\n0.750000 0.854098 0.760483 Ba\n0.750000 0.645902 0.260483 Ba\n0.750000 0.171733 0.709018 Ba\n0.750000 0.057813 0.930180 Ba\n0.250000 0.980023 0.627030 Ba\n0.750000 0.480023 0.872970 Ba\n0.750000 0.328267 0.209018 Ba\n0.250000 0.942187 0.069820 Ba\n0.250000 0.229989 0.997911 Ba\n0.250000 0.828267 0.290982 Ba\n0.250000 0.354098 0.739517 Ba\n0.250000 0.557813 0.569820 Ba\n0.750000 0.770011 0.002089 Ba\n0.250000 0.145902 0.239517 Ba\n0.750000 0.437828 0.654075 Ru\n0.250000 0.937828 0.845925 Ru\n0.250000 0.374851 0.302553 Ru\n0.250000 0.125149 0.802553 Ru\n0.750000 0.874851 0.197447 Ru\n0.250000 0.562172 0.345925 Ru\n0.750000 0.625149 0.697447 Ru\n0.750000 0.062172 0.154075 Ru\n0.250000 0.444550 0.927339 Cl\n0.750000 0.944550 0.572661 Cl\n0.750000 0.555450 0.072661 Cl\n0.250000 0.685929 0.990994 Cl\n0.250000 0.814071 0.490994 Cl\n0.750000 0.185929 0.509006 Cl\n0.750000 0.314071 0.009006 Cl\n0.250000 0.055450 0.427339 Cl\n0.508541 0.113132 0.090963 O\n0.022431 0.203825 0.842824 O\n0.477569 0.296175 0.342824 O\n0.250000 0.648829 0.254112 O\n0.250000 0.330368 0.183135 O\n0.750000 0.943922 0.079684 O\n0.750000 0.669632 0.816865 O\n0.478364 0.019932 0.773334 O\n0.750000 0.148829 0.245888 O\n0.977569 0.796175 0.157176 O\n0.250000 0.056078 0.920316 O\n0.750000 0.351171 0.745888 O\n0.250000 0.851171 0.754112 O\n0.522431 0.703825 0.657176 O\n0.991459 0.113132 0.090963 O\n0.477569 0.203825 0.842824 O\n0.521636 0.980068 0.226666 O\n0.508541 0.386868 0.590963 O\n0.521636 0.519932 0.726666 O\n0.008541 0.613132 0.409037 O\n0.491459 0.613132 0.409037 O\n0.991459 0.386868 0.590963 O\n0.022431 0.296175 0.342824 O\n0.008541 0.886868 0.909037 O\n0.021636 0.480068 0.273334 O\n0.977569 0.703825 0.657176 O\n0.021636 0.019932 0.773334 O\n0.522431 0.796175 0.157176 O\n0.978364 0.980068 0.226666 O\n0.750000 0.556078 0.579684 O\n0.250000 0.443922 0.420316 O\n0.491459 0.886868 0.909037 O\n0.478364 0.480068 0.273334 O\n0.750000 0.830368 0.316865 O\n0.978364 0.519932 0.726666 O\n0.250000 0.169632 0.683135 O\n",
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{
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"structure_string": "Ti2 Fe1 Tc1\n1.0\n0.000000 3.036516 3.036516\n3.036516 0.000000 3.036516\n3.036516 3.036516 0.000000\nTi Fe Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Tc\n",
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{
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