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{
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{
"id": "mp-550998",
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{
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"structure_string": "Rb16 Yb3 Ti13 P24 O96\n1.0\n10.162126 -0.028412 0.002062\n-0.028433 10.159793 0.005985\n0.004196 0.011914 20.323235\nO P Rb Ti Yb\n96 24 16 13 3\ndirect\n0.005828 0.077951 0.173172 O\n0.004743 0.106282 0.667484 O\n0.026282 0.931995 0.400597 O\n0.991736 0.971587 0.895414 O\n0.027919 0.809826 0.128448 O\n0.010483 0.787734 0.621932 O\n0.035976 0.290675 0.236926 O\n0.030544 0.304137 0.743495 O\n0.065360 0.170720 0.375176 O\n0.079671 0.199229 0.867674 O\n0.078267 0.378928 0.000998 O\n0.084601 0.350031 0.505258 O\n0.136812 0.992793 0.293272 O\n0.144687 1.005046 0.797447 O\n0.199517 0.761633 0.236531 O\n0.203923 0.745749 0.747855 O\n0.191968 0.733677 0.043065 O\n0.190045 0.723529 0.538991 O\n0.210496 0.524920 0.265395 O\n0.209232 0.504392 0.769188 O\n0.245413 0.434121 0.416909 O\n0.229726 0.422612 0.903931 O\n0.257357 0.020509 0.401487 O\n0.226401 0.017016 0.914276 O\n0.251071 0.975438 0.165562 O\n0.256320 0.990418 0.643977 O\n0.276992 0.592645 0.151825 O\n0.273759 0.587335 0.656904 O\n0.293980 0.501436 0.017037 O\n0.297337 0.471166 0.535925 O\n0.329367 0.246550 0.281370 O\n0.306075 0.269129 0.794728 O\n0.306824 0.241554 0.490983 O\n0.295439 0.261426 0.994767 O\n0.346204 0.011350 0.053757 O\n0.370941 0.001435 0.534857 O\n0.423228 0.653049 0.249687 O\n0.422929 0.635096 0.753726 O\n0.418102 0.810266 0.118752 O\n0.416723 0.809041 0.611169 O\n0.467476 0.702925 0.995740 O\n0.454551 0.700511 0.489551 O\n0.478019 0.197914 0.378620 O\n0.495030 0.197589 0.868944 O\n0.487200 0.037629 0.156106 O\n0.497818 0.035422 0.641281 O\n0.492595 0.915861 0.424739 O\n0.489404 0.891725 0.915747 O\n0.502398 0.415162 0.317439 O\n0.509278 0.415839 0.813072 O\n0.516883 0.533662 0.100696 O\n0.519900 0.546648 0.602366 O\n0.529918 0.658241 0.878968 O\n0.519433 0.694339 0.371371 O\n0.524078 0.205934 0.746869 O\n0.570615 0.197635 0.265195 O\n0.580323 0.306057 0.140850 O\n0.587125 0.313855 0.632387 O\n0.591053 0.143988 0.494076 O\n0.603309 0.164166 0.997992 O\n0.647661 0.509746 0.206868 O\n0.654980 0.510628 0.705586 O\n0.698651 0.741524 0.265726 O\n0.661942 0.753105 0.766438 O\n0.685350 0.774565 0.458197 O\n0.692889 0.767822 0.958140 O\n0.707356 0.975272 0.228476 O\n0.690863 0.990504 0.734939 O\n0.732540 0.084711 0.097213 O\n0.733657 0.086485 0.594514 O\n0.753296 0.465373 0.096108 O\n0.754041 0.482560 0.591841 O\n0.727960 0.522634 0.350349 O\n0.752565 0.526468 0.841923 O\n0.777568 0.921032 0.344995 O\n0.756896 0.913348 0.848778 O\n0.804435 0.016172 0.480335 O\n0.797808 0.011462 0.984148 O\n0.810096 0.222241 0.203231 O\n0.803115 0.231958 0.707589 O\n0.812312 0.254176 0.511328 O\n0.832434 0.247768 0.013086 O\n0.845370 0.494465 0.458925 O\n0.846658 0.491777 0.956631 O\n0.919529 0.850791 0.247299 O\n0.889399 0.842517 0.747323 O\n0.897672 0.692384 0.384651 O\n0.916262 0.693342 0.888682 O\n0.958049 0.786823 0.503329 O\n0.964291 0.803450 0.008785 O\n0.978177 0.303219 0.118543 O\n0.964214 0.333802 0.625706 O\n0.967582 0.466869 0.351084 O\n0.987828 0.466491 0.853383 O\n0.988349 0.590576 0.072903 O\n0.998453 0.572859 0.563357 O\n0.044077 0.731740 0.063133 P\n0.041710 0.719446 0.557834 P\n0.120260 0.034068 0.366962 P\n0.115996 0.047497 0.866792 P\n0.231388 0.374886 0.484863 P\n0.224745 0.387768 0.978658 P\n0.278092 0.631628 0.226232 P\n0.277045 0.620338 0.731831 P\n0.375331 0.957380 0.120842 P\n0.382818 0.958406 0.608253 P\n0.465564 0.266794 0.309429 P\n0.457023 0.272221 0.807466 P\n0.546005 0.760876 0.935659 P\n0.538596 0.772310 0.436520 P\n0.623706 0.453270 0.136914 P\n0.629096 0.461093 0.634598 P\n0.736864 0.127791 0.023694 P\n0.731877 0.124496 0.520533 P\n0.777175 0.872439 0.272287 P\n0.755658 0.875490 0.774493 P\n0.862267 0.542950 0.386846 P\n0.875419 0.545566 0.886561 P\n0.958816 0.222511 0.183560 P\n0.951500 0.238935 0.686242 P\n0.077712 0.074273 0.033234 Rb\n0.076122 0.065425 0.533603 Rb\n0.200189 0.699697 0.392137 Rb\n0.208103 0.720076 0.896858 Rb\n0.288153 0.296704 0.145714 Rb\n0.288977 0.286575 0.650853 Rb\n0.428017 0.934566 0.287125 Rb\n0.416544 0.934401 0.782026 Rb\n0.562674 0.424505 0.963115 Rb\n0.561378 0.428800 0.464368 Rb\n0.708325 0.792339 0.103519 Rb\n0.711923 0.796176 0.605835 Rb\n0.800293 0.214867 0.351580 Rb\n0.788417 0.203282 0.854403 Rb\n0.937094 0.562755 0.216860 Rb\n0.938210 0.575936 0.714117 Rb\n0.089918 0.914833 0.208270 Ti\n0.139574 0.357899 0.823003 Ti\n0.359723 0.647431 0.070078 Ti\n0.357750 0.638691 0.573094 Ti\n0.415065 0.086750 0.453521 Ti\n0.584187 0.586835 0.292827 Ti\n0.587598 0.584416 0.792871 Ti\n0.645458 0.138792 0.180831 Ti\n0.641192 0.144125 0.677462 Ti\n0.857409 0.855127 0.428897 Ti\n0.855083 0.862003 0.929651 Ti\n0.913485 0.412855 0.541848 Ti\n0.913437 0.412656 0.042836 Ti\n0.082269 0.914224 0.704837 Yb\n0.150260 0.351132 0.324989 Yb\n0.415497 0.085514 0.957069 Yb\n",
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"formula_full": "Rb16 Yb3 Ti13 P24 O96",
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"updated_at": "2021-11-28T01:39:17.446000Z",
"spacegroup": 1
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{
"id": "mp-1188263",
"created_at": "2022-09-04T14:48:27.021301Z",
"structure_string": "Eu6 In4 P8\n1.0\n4.301419 0.000000 0.000000\n0.000000 6.612076 0.000000\n0.000000 0.000000 16.041120\nEu In P\n6 4 8\ndirect\n0.000000 0.210053 0.301312 Eu\n0.000000 0.789947 0.698688 Eu\n0.500000 0.289947 0.801312 Eu\n0.500000 0.710053 0.198688 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.500000 0.500000 Eu\n0.500000 0.860101 0.412538 In\n0.500000 0.139899 0.587462 In\n0.000000 0.639899 0.912538 In\n0.000000 0.360101 0.087462 In\n0.500000 0.234014 0.169786 P\n0.500000 0.765986 0.830214 P\n0.000000 0.265986 0.669786 P\n0.000000 0.734014 0.330214 P\n0.000000 0.749717 0.070298 P\n0.000000 0.250283 0.929702 P\n0.500000 0.750283 0.570298 P\n0.500000 0.249717 0.429702 P\n",
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{
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"structure_string": "Ba4 Cl8 O4\n1.0\n5.206016 0.000000 0.000000\n0.000000 8.553581 0.000000\n0.000000 0.000000 10.593366\nBa Cl O\n4 8 4\ndirect\n0.250000 0.382497 0.689283 Ba\n0.250000 0.117503 0.189283 Ba\n0.750000 0.617503 0.310717 Ba\n0.750000 0.882497 0.810717 Ba\n0.250000 0.401587 0.385148 Cl\n0.250000 0.098413 0.885148 Cl\n0.750000 0.598413 0.614852 Cl\n0.750000 0.901587 0.114852 Cl\n0.250000 0.830871 0.381208 Cl\n0.250000 0.669129 0.881208 Cl\n0.750000 0.169129 0.618792 Cl\n0.750000 0.330871 0.118792 Cl\n0.250000 0.876731 0.723714 O\n0.250000 0.623269 0.223714 O\n0.750000 0.123269 0.276286 O\n0.750000 0.376731 0.776286 O\n",
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{
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"structure_string": "Co2 H20 Se2 O18\n1.0\n-0.016262 0.016630 -6.171348\n6.075918 0.028913 -2.125168\n-2.301741 -10.536054 1.629088\nCo H Se O\n2 20 2 18\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.768112 0.719087 0.013265 H\n0.231888 0.280913 0.986735 H\n0.746435 0.902123 0.146744 H\n0.253565 0.097877 0.853256 H\n0.912282 0.337159 0.203601 H\n0.087718 0.662841 0.796399 H\n0.665944 0.359005 0.127773 H\n0.334056 0.640995 0.872227 H\n0.647949 0.335213 0.359414 H\n0.352051 0.664787 0.640586 H\n0.548668 0.606789 0.398651 H\n0.451332 0.393211 0.601349 H\n0.101756 0.805884 0.405638 H\n0.898244 0.194116 0.594362 H\n0.826620 0.866154 0.390316 H\n0.173380 0.133846 0.609684 H\n0.292167 0.618074 0.127360 H\n0.707833 0.381926 0.872640 H\n0.251237 0.444067 0.191870 H\n0.748763 0.555933 0.808130 H\n0.348060 0.027062 0.289017 Se\n0.651940 0.972938 0.710983 Se\n0.281958 0.908611 0.137729 O\n0.718042 0.091389 0.862271 O\n0.616149 0.045122 0.298283 O\n0.383851 0.954878 0.701717 O\n0.337880 0.869355 0.386962 O\n0.662120 0.130645 0.613038 O\n0.163627 0.289819 0.324513 O\n0.836373 0.710181 0.675487 O\n0.839612 0.827191 0.072746 O\n0.160388 0.172809 0.927254 O\n0.832823 0.314445 0.117987 O\n0.167177 0.685555 0.882013 O\n0.685694 0.474393 0.403554 O\n0.314306 0.525607 0.596446 O\n0.970045 0.758117 0.417899 O\n0.029955 0.241883 0.582101 O\n0.338776 0.454853 0.127086 O\n0.661224 0.545147 0.872914 O\n",
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{
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{
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"structure_string": "Nd2 Ni2 Ge6\n1.0\n2.072456 -10.955041 0.000000\n2.072456 10.955041 0.000000\n0.000000 0.000000 4.169952\nNd Ni Ge\n2 2 6\ndirect\n0.668490 0.331510 0.500000 Nd\n0.331510 0.668490 0.500000 Nd\n0.890718 0.109282 0.000000 Ni\n0.109282 0.890718 0.000000 Ni\n0.943296 0.056704 0.500000 Ge\n0.056704 0.943296 0.500000 Ge\n0.556647 0.443353 0.000000 Ge\n0.443353 0.556647 0.000000 Ge\n0.783953 0.216047 0.000000 Ge\n0.216047 0.783953 0.000000 Ge\n",
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{
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