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{
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{
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{
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{
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"structure_string": "Ca1 Mg2 Al4 Si1 O12\n1.0\n5.208602 0.006235 -0.898376\n2.595867 -4.590647 -0.465686\n-0.012862 -0.035143 -9.740592\nCa Mg Al Si O\n1 2 4 1 12\ndirect\n0.002433 0.999831 0.986759 Ca\n0.825100 0.345883 0.502004 Mg\n0.171287 0.653330 0.501530 Mg\n0.499313 0.005597 0.502936 Al\n0.272423 0.327480 0.208734 Al\n0.399354 0.329402 0.795348 Al\n0.725619 0.672761 0.795592 Al\n0.602574 0.670190 0.207403 Si\n0.545172 0.683848 0.379613 O\n0.227658 0.307188 0.392261 O\n0.462294 0.312760 0.609258 O\n0.763994 0.692423 0.608250 O\n0.355256 0.612367 0.153267 O\n0.936729 0.404532 0.152226 O\n0.676353 0.371069 0.852382 O\n0.048028 0.630129 0.849751 O\n0.844691 0.998884 0.409303 O\n0.159875 0.997151 0.589247 O\n0.569096 0.984860 0.144703 O\n0.412753 0.000315 0.859434 O\n",
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{
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"structure_string": "Ba8 Ca2 Zr10 O30\n1.0\n-2.980971 2.980971 21.247166\n2.980971 -2.980971 21.247166\n2.980971 2.980971 -21.247166\nBa Ca Zr O\n8 2 10 30\ndirect\n0.101449 0.101449 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.898551 0.898551 0.000000 Ba\n0.298531 0.298531 0.000000 Ba\n0.701469 0.701469 0.000000 Ba\n0.600060 0.600060 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.399940 0.399940 0.000000 Ba\n0.800819 0.800819 0.000000 Ca\n0.199181 0.199181 0.000000 Ca\n0.050407 0.550407 0.500000 Zr\n0.449593 0.949593 0.500000 Zr\n0.848522 0.348522 0.500000 Zr\n0.250000 0.750000 0.500000 Zr\n0.651478 0.151478 0.500000 Zr\n0.151478 0.651478 0.500000 Zr\n0.550407 0.050407 0.500000 Zr\n0.949593 0.449593 0.500000 Zr\n0.348522 0.848522 0.500000 Zr\n0.750000 0.250000 0.500000 Zr\n0.322824 0.778098 0.000000 O\n0.721621 0.177834 0.000000 O\n0.132194 0.567326 0.000000 O\n0.553595 0.954818 0.000000 O\n0.943537 0.365091 0.000000 O\n0.778098 0.322824 0.000000 O\n0.177834 0.721621 0.000000 O\n0.567326 0.132194 0.000000 O\n0.954818 0.553595 0.000000 O\n0.365091 0.943537 0.000000 O\n0.867806 0.867806 0.435133 O\n0.278379 0.278379 0.456214 O\n0.677176 0.677176 0.455274 O\n0.056463 0.056463 0.421554 O\n0.446405 0.446405 0.401223 O\n0.432674 0.432674 0.564867 O\n0.822166 0.822166 0.543786 O\n0.221902 0.221902 0.544726 O\n0.634909 0.634909 0.578446 O\n0.045182 0.045182 0.598777 O\n0.600959 0.100959 0.500000 O\n0.000000 0.500000 0.500000 O\n0.399041 0.899041 0.500000 O\n0.799218 0.299218 0.500000 O\n0.200782 0.700782 0.500000 O\n0.100959 0.600959 0.500000 O\n0.500000 0.000000 0.500000 O\n0.899041 0.399041 0.500000 O\n0.299218 0.799218 0.500000 O\n0.700782 0.200782 0.500000 O\n",
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{
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"structure_string": "Li1 Hf1 Mg30 O31\n1.0\n8.549668 0.000000 0.000000\n0.000000 8.560132 0.000000\n0.000000 0.000000 8.564220\nLi Hf Mg O\n1 1 30 31\ndirect\n0.000000 0.008055 0.000000 Li\n0.500000 0.999825 0.000000 Hf\n0.000000 0.000327 0.500000 Mg\n0.500000 0.000057 0.500000 Mg\n0.000000 0.499804 0.000000 Mg\n0.500000 0.499717 0.000000 Mg\n0.000000 0.499310 0.500000 Mg\n0.500000 0.499670 0.500000 Mg\n0.241764 0.999727 0.253263 Mg\n0.758236 0.999727 0.253263 Mg\n0.241764 0.999727 0.746737 Mg\n0.758236 0.999727 0.746737 Mg\n0.248498 0.499882 0.250469 Mg\n0.751502 0.499882 0.250469 Mg\n0.248498 0.499882 0.749531 Mg\n0.751502 0.499882 0.749531 Mg\n0.241843 0.746071 0.000000 Mg\n0.758157 0.746071 0.000000 Mg\n0.249198 0.749338 0.500000 Mg\n0.750802 0.749338 0.500000 Mg\n0.242263 0.253176 0.000000 Mg\n0.757737 0.253176 0.000000 Mg\n0.248646 0.250433 0.500000 Mg\n0.751354 0.250433 0.500000 Mg\n0.000000 0.751454 0.250798 Mg\n0.500000 0.746425 0.253491 Mg\n0.000000 0.751454 0.749202 Mg\n0.500000 0.746425 0.746509 Mg\n0.000000 0.248046 0.248354 Mg\n0.500000 0.253171 0.253461 Mg\n0.000000 0.248046 0.751646 Mg\n0.500000 0.253171 0.746539 Mg\n0.500000 0.745269 0.000000 O\n0.000000 0.748898 0.500000 O\n0.500000 0.749352 0.500000 O\n0.000000 0.255941 0.000000 O\n0.500000 0.254250 0.000000 O\n0.000000 0.250521 0.500000 O\n0.500000 0.250400 0.500000 O\n0.251225 0.750588 0.250082 O\n0.748775 0.750588 0.250082 O\n0.251225 0.750588 0.749918 O\n0.748775 0.750588 0.749918 O\n0.250574 0.248995 0.249195 O\n0.749426 0.248995 0.249195 O\n0.250574 0.248995 0.750805 O\n0.749426 0.248995 0.750805 O\n0.257076 0.000389 0.000000 O\n0.742924 0.000389 0.000000 O\n0.251169 0.999826 0.500000 O\n0.748831 0.999826 0.500000 O\n0.252043 0.499000 0.000000 O\n0.747957 0.499000 0.000000 O\n0.250521 0.499855 0.500000 O\n0.749479 0.499855 0.500000 O\n0.000000 0.000159 0.256479 O\n0.500000 0.999836 0.254431 O\n0.000000 0.000159 0.743521 O\n0.500000 0.999836 0.745569 O\n0.000000 0.498889 0.251960 O\n0.500000 0.499849 0.250600 O\n0.000000 0.498889 0.748040 O\n0.500000 0.499849 0.749400 O\n",
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{
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"structure_string": "Lu1 Mg2 W3 S8\n1.0\n6.434926 -0.013858 3.689113\n2.132020 6.072173 3.688927\n-0.023733 -0.017015 7.419394\nLu Mg W S\n1 2 3 8\ndirect\n0.499996 0.500014 0.499994 Lu\n0.875003 0.875004 0.875058 Mg\n0.125005 0.124990 0.124948 Mg\n0.500005 0.500000 0.999992 W\n0.000005 0.499984 0.500009 W\n0.499986 0.999998 0.500014 W\n0.738162 0.738111 0.738344 S\n0.248266 0.248326 0.724012 S\n0.248168 0.723927 0.248336 S\n0.723947 0.248192 0.248300 S\n0.751821 0.276076 0.751653 S\n0.276043 0.751804 0.751700 S\n0.261847 0.261884 0.261651 S\n0.751749 0.751685 0.275991 S\n",
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{
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{
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{
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{
"id": "mp-1229320",
"created_at": "2022-09-04T14:48:01.440313Z",
"structure_string": "Bi26 Mo10 O69\n1.0\n5.939714 0.000000 0.000000\n-0.135277 11.963932 0.000000\n-0.009879 -5.626917 24.688700\nBi Mo O\n26 10 69\ndirect\n0.905180 0.343087 0.753718 Bi\n0.910503 0.655530 0.744724 Bi\n0.095130 0.656372 0.246202 Bi\n0.091822 0.341169 0.253671 Bi\n0.496446 0.137701 0.675974 Bi\n0.514476 0.858608 0.823163 Bi\n0.502373 0.861825 0.324339 Bi\n0.498972 0.140043 0.177185 Bi\n0.009240 0.579464 0.592914 Bi\n0.007070 0.417958 0.906813 Bi\n0.990826 0.419977 0.406564 Bi\n0.992707 0.580341 0.093719 Bi\n0.503741 0.233711 0.840250 Bi\n0.500189 0.765123 0.659431 Bi\n0.506921 0.767581 0.161273 Bi\n0.497296 0.232854 0.340660 Bi\n0.014026 0.254327 0.599477 Bi\n0.014681 0.740981 0.899258 Bi\n0.984277 0.746125 0.400528 Bi\n0.987971 0.255958 0.099131 Bi\n0.408602 0.458956 0.674286 Bi\n0.406051 0.540034 0.825241 Bi\n0.592252 0.539303 0.325454 Bi\n0.592654 0.457957 0.174609 Bi\n0.433462 0.995247 0.512098 Bi\n0.576815 0.994279 0.997014 Bi\n0.993417 0.922884 0.579849 Mo\n0.015955 0.089056 0.926713 Mo\n0.995947 0.077370 0.424526 Mo\n0.006204 0.924814 0.077256 Mo\n0.994224 0.998809 0.748343 Mo\n0.009960 0.000650 0.250146 Mo\n0.504394 0.333150 0.511204 Mo\n0.506703 0.673977 0.988800 Mo\n0.496287 0.668548 0.489294 Mo\n0.490200 0.333017 0.011407 Mo\n0.066407 0.436524 0.633052 O\n0.064919 0.560006 0.865444 O\n0.933952 0.563034 0.366865 O\n0.933924 0.439198 0.133644 O\n0.718297 0.991243 0.576438 O\n0.766550 0.982043 0.922008 O\n0.277378 0.018578 0.427227 O\n0.286215 0.981706 0.074152 O\n0.766726 0.256625 0.663007 O\n0.770404 0.734786 0.835415 O\n0.230270 0.742728 0.337205 O\n0.234129 0.258581 0.163646 O\n0.021599 0.797057 0.607235 O\n0.946075 0.209930 0.898070 O\n0.992249 0.197123 0.392128 O\n0.997346 0.804627 0.108651 O\n0.812493 0.012472 0.805690 O\n0.825567 0.985528 0.688067 O\n0.184817 0.989165 0.191476 O\n0.192930 0.012620 0.307439 O\n0.251872 0.361810 0.840290 O\n0.255116 0.633920 0.660604 O\n0.746179 0.635590 0.160101 O\n0.744894 0.363894 0.339744 O\n0.405188 0.206611 0.533644 O\n0.423590 0.805599 0.967750 O\n0.590108 0.800515 0.471008 O\n0.571554 0.202517 0.031549 O\n0.269134 0.272096 0.665736 O\n0.272474 0.725262 0.833471 O\n0.727013 0.726244 0.334845 O\n0.729902 0.274510 0.166338 O\n0.747126 0.372451 0.844301 O\n0.749685 0.629304 0.654702 O\n0.250680 0.632489 0.155864 O\n0.249400 0.368711 0.344798 O\n0.555646 0.305154 0.439525 O\n0.557373 0.697582 0.060309 O\n0.450177 0.691626 0.561202 O\n0.430359 0.308689 0.940045 O\n0.229696 0.040140 0.593286 O\n0.205267 0.948899 0.892273 O\n0.811983 0.959962 0.392802 O\n0.815016 0.039358 0.105581 O\n0.748263 0.389651 0.551397 O\n0.745003 0.614994 0.948384 O\n0.252521 0.613716 0.448662 O\n0.253416 0.391470 0.053048 O\n0.221744 0.499372 0.749465 O\n0.778560 0.499318 0.250191 O\n0.128070 0.879501 0.509728 O\n0.033537 0.137537 0.000731 O\n0.898779 0.127423 0.491798 O\n0.888684 0.873055 0.009870 O\n0.712161 0.498668 0.748915 O\n0.287597 0.499789 0.250039 O\n0.173678 0.124483 0.755406 O\n0.172626 0.875320 0.743640 O\n0.828747 0.875413 0.243990 O\n0.831659 0.124940 0.256549 O\n0.281945 0.433390 0.525769 O\n0.276685 0.576660 0.973383 O\n0.719830 0.569518 0.472546 O\n0.721405 0.430685 0.026649 O\n0.592663 0.237066 0.756386 O\n0.599040 0.761151 0.742795 O\n0.410399 0.761628 0.244154 O\n0.405683 0.237897 0.256839 O\n0.348653 0.041061 0.925606 O\n",
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}
]
}