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{
"id": "mp-558402",
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{
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"structure_string": "Si8 O16\n1.0\n4.521437 0.000000 0.000000\n0.000000 8.271913 0.000000\n0.000000 0.000000 9.475300\nSi O\n8 16\ndirect\n0.201642 0.165622 0.098997 Si\n0.701642 0.334378 0.598997 Si\n0.201642 0.834378 0.901003 Si\n0.298358 0.665622 0.598997 Si\n0.298358 0.334378 0.401003 Si\n0.798358 0.165622 0.901003 Si\n0.798358 0.834378 0.098997 Si\n0.701642 0.665622 0.401003 Si\n0.500000 0.216467 0.500000 O\n0.500000 0.148535 0.000000 O\n0.000000 0.283533 0.000000 O\n0.000000 0.351465 0.500000 O\n0.500000 0.500000 0.363426 O\n0.500000 0.851465 0.000000 O\n0.000000 0.000000 0.136574 O\n0.000000 0.648535 0.500000 O\n0.000000 0.716467 0.000000 O\n0.500000 0.500000 0.636574 O\n0.250000 0.250000 0.250000 O\n0.500000 0.783533 0.500000 O\n0.250000 0.750000 0.750000 O\n0.000000 0.000000 0.863426 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.750000 O\n",
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"formula_full": "Si8 O16",
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{
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{
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"structure_string": "Na1 Y1 Se2\n1.0\n7.151696 -2.071427 0.000000\n7.151696 2.071427 0.000000\n6.551726 0.000000 3.537296\nNa Y Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Y\n0.756954 0.756954 0.756954 Se\n0.243046 0.243046 0.243046 Se\n",
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{
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"structure_string": "K1 Sr1 La1 Se1 O6\n1.0\n0.000000 -4.169344 -4.169344\n4.169344 0.000000 -4.169344\n4.169344 -4.169344 0.000000\nK Sr La Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Se\n0.720305 0.279695 0.279695 O\n0.279695 0.720305 0.720305 O\n0.720305 0.279695 0.720305 O\n0.279695 0.720305 0.279695 O\n0.720305 0.720305 0.279695 O\n0.279695 0.279695 0.720305 O\n",
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{
"id": "mp-1208589",
"created_at": "2022-09-04T14:43:15.704691Z",
"structure_string": "Ta4 Mn4 O16\n1.0\n0.047147 -0.000003 -5.032672\n0.000002 -5.762860 -0.000004\n-9.433742 0.000004 0.284676\nTa Mn O\n4 4 16\ndirect\n0.749991 0.332209 0.250007 Ta\n0.750004 0.332211 0.749992 Ta\n0.250010 0.667790 0.249994 Ta\n0.249993 0.667789 0.750010 Ta\n0.750004 0.841025 0.500001 Mn\n0.250009 0.158963 0.000002 Mn\n0.750003 0.841303 0.999997 Mn\n0.249994 0.158719 0.500004 Mn\n0.426862 0.875732 0.385715 O\n0.426846 0.875750 0.885706 O\n0.573136 0.124264 0.114286 O\n0.573151 0.124250 0.614292 O\n0.073150 0.875751 0.114289 O\n0.073138 0.875733 0.614286 O\n0.926848 0.124250 0.385710 O\n0.926863 0.124266 0.885714 O\n0.928711 0.612662 0.360340 O\n0.928714 0.612668 0.860341 O\n0.071286 0.387338 0.139659 O\n0.071288 0.387330 0.639657 O\n0.571289 0.612669 0.139658 O\n0.571289 0.612658 0.639660 O\n0.428710 0.387332 0.360341 O\n0.428709 0.387338 0.860339 O\n",
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{
"id": "mp-1104440",
"created_at": "2022-09-04T14:43:15.051968Z",
"structure_string": "Rb4 Mo2 S4 O4\n1.0\n3.727507 5.893531 0.000000\n-3.727507 5.893531 0.000000\n0.000000 5.257268 8.729037\nRb Mo S O\n4 2 4 4\ndirect\n0.764868 0.656179 0.665030 Rb\n0.343821 0.235132 0.834970 Rb\n0.235132 0.343821 0.334970 Rb\n0.656179 0.764868 0.165030 Rb\n0.078252 0.921748 0.750000 Mo\n0.921748 0.078252 0.250000 Mo\n0.240092 0.730112 0.935788 S\n0.269888 0.759908 0.564212 S\n0.759908 0.269888 0.064212 S\n0.730112 0.240092 0.435788 S\n0.089103 0.201910 0.673792 O\n0.798090 0.910897 0.826208 O\n0.910897 0.798090 0.326208 O\n0.201910 0.089103 0.173792 O\n",
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{
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n-1.154331 -0.444605 5.882891\n6.680184 0.006732 -0.009653\n2.819246 9.212745 -0.052724\nLi Mn P O\n4 4 4 16\ndirect\n0.597902 0.194778 0.280773 Li\n0.402065 0.805226 0.719220 Li\n0.431671 0.338279 0.679483 Li\n0.568300 0.661712 0.320540 Li\n0.013532 0.933576 0.282884 Mn\n0.795067 0.354393 0.929883 Mn\n0.986450 0.066446 0.717086 Mn\n0.205022 0.645366 0.070064 Mn\n0.163417 0.292519 0.387123 P\n0.836554 0.707496 0.612883 P\n0.288967 0.183447 0.012070 P\n0.711062 0.816560 0.987935 P\n0.533412 0.262718 0.069033 O\n0.466623 0.737298 0.930952 O\n0.310156 0.134929 0.368162 O\n0.689816 0.865084 0.631850 O\n0.917346 0.217212 0.328863 O\n0.082620 0.782815 0.671150 O\n0.790253 0.046512 0.891029 O\n0.209788 0.953526 0.108994 O\n0.127092 0.329910 0.029655 O\n0.872963 0.670139 0.970359 O\n0.173997 0.289348 0.550097 O\n0.825982 0.710691 0.449910 O\n0.281874 0.185307 0.850131 O\n0.718091 0.814701 0.149867 O\n0.738460 0.475883 0.699958 O\n0.261515 0.524128 0.300048 O\n",
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{
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"structure_string": "P8 O20\n1.0\n4.940328 0.000000 0.000000\n0.000000 7.387099 0.000000\n0.000000 0.000000 9.650206\nP O\n8 20\ndirect\n0.250000 0.713104 0.249616 P\n0.750000 0.286896 0.750384 P\n0.750000 0.213104 0.250384 P\n0.250000 0.786896 0.749616 P\n0.250000 0.349243 0.394501 P\n0.750000 0.650757 0.605499 P\n0.750000 0.849243 0.105499 P\n0.250000 0.150757 0.894501 P\n0.250000 0.500026 0.277003 O\n0.750000 0.499974 0.722997 O\n0.750000 0.000026 0.222997 O\n0.250000 0.999974 0.777003 O\n0.250000 0.837996 0.366154 O\n0.750000 0.162004 0.633846 O\n0.750000 0.337996 0.133846 O\n0.250000 0.662004 0.866154 O\n0.250000 0.404394 0.539965 O\n0.750000 0.595606 0.460035 O\n0.750000 0.904394 0.960035 O\n0.250000 0.095606 0.039965 O\n0.998743 0.723718 0.146183 O\n0.498743 0.276282 0.853817 O\n0.001257 0.223718 0.353817 O\n0.501257 0.776282 0.646183 O\n0.001257 0.276282 0.853817 O\n0.501257 0.723718 0.146183 O\n0.998743 0.776282 0.646183 O\n0.498743 0.223718 0.353817 O\n",
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{
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"structure_string": "Li4 V4 O8 F8\n1.0\n5.424954 0.000000 0.000000\n0.000000 6.874301 0.000000\n0.000000 0.000000 8.940073\nLi V O F\n4 4 8 8\ndirect\n0.518233 0.371016 0.223886 Li\n0.518233 0.871016 0.276114 Li\n0.481767 0.371016 0.723886 Li\n0.481767 0.871016 0.776114 Li\n0.047562 0.993634 0.056347 V\n0.952438 0.493634 0.943653 V\n0.047562 0.493634 0.443653 V\n0.952438 0.993634 0.556347 V\n0.030388 0.735910 0.976734 O\n0.198211 0.986946 0.217332 O\n0.198211 0.486946 0.282668 O\n0.030388 0.235910 0.523266 O\n0.969612 0.735910 0.476734 O\n0.801789 0.986946 0.717332 O\n0.801789 0.486946 0.782668 O\n0.969612 0.235910 0.023266 O\n0.683414 0.511985 0.076837 F\n0.722392 0.937109 0.115235 F\n0.683414 0.011985 0.423163 F\n0.722392 0.437109 0.384765 F\n0.316586 0.511985 0.576837 F\n0.277608 0.937109 0.615235 F\n0.277608 0.437109 0.884765 F\n0.316586 0.011985 0.923163 F\n",
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{
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"structure_string": "As24 S26\n1.0\n7.102940 -0.056838 3.535798\n0.555179 9.867421 1.125970\n5.281048 -0.880973 27.362206\nAs S\n24 26\ndirect\n0.139037 0.702187 0.994397 As\n0.811035 0.406873 0.172063 As\n0.167273 0.461079 0.528468 As\n0.549182 0.299330 0.285067 As\n0.253344 0.277296 0.818843 As\n0.834068 0.745580 0.101436 As\n0.440884 0.310994 0.658353 As\n0.574941 0.595449 0.377377 As\n0.534981 0.404090 0.919415 As\n0.635022 0.836357 0.335238 As\n0.564636 0.546749 0.260457 As\n0.639784 0.846340 0.681652 As\n0.808685 0.604136 0.596417 As\n0.510106 0.909572 0.582059 As\n0.887948 0.808191 0.516682 As\n0.767989 0.986647 0.073357 As\n0.328391 0.490002 0.578057 As\n0.965515 0.423595 0.898809 As\n0.149603 0.330564 0.990010 As\n0.367362 0.281022 0.239802 As\n0.346608 0.562699 0.686084 As\n0.922974 0.042390 0.371748 As\n0.918395 0.478756 0.233755 As\n0.778947 0.996443 0.723137 As\n0.206682 0.138497 0.030074 S\n0.277195 0.500313 0.015920 S\n0.081408 -0.009153 0.411134 S\n0.146418 0.323134 0.390131 S\n0.030619 0.871735 0.712905 S\n-0.019732 0.477906 0.743644 S\n0.410783 0.048752 0.230842 S\n0.419612 0.021085 0.156907 S\n0.714206 0.270119 0.945310 S\n0.526488 0.108025 0.529608 S\n0.557458 0.070954 0.454162 S\n0.362233 0.647814 0.479022 S\n0.291083 0.168618 0.743917 S\n0.346561 0.111525 0.863528 S\n0.810822 0.646089 0.034329 S\n0.369662 0.589066 0.764191 S\n0.442197 0.939338 0.818295 S\n0.526472 0.419577 0.769830 S\n0.856606 0.713853 0.348033 S\n0.024234 0.297602 0.347352 S\n0.071254 0.690399 0.196513 S\n0.919937 0.699689 0.642979 S\n0.122327 0.356676 0.670260 S\n0.779908 0.969366 0.585291 S\n0.820791 0.825049 0.228957 S\n0.908470 0.100831 0.108485 S\n",
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"formula_full": "As24 S26",
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"updated_at": "2021-11-28T01:36:07.811000Z",
"spacegroup": 1
},
{
"id": "mp-1224890",
"created_at": "2022-09-04T14:43:18.900304Z",
"structure_string": "Fe4 Sb12 Pb16 O52\n1.0\n0.036014 -0.035904 10.641837\n-10.605636 5.266949 5.266951\n-0.036016 -10.641837 0.035904\nFe Sb Pb O\n4 12 16 52\ndirect\n0.749615 0.999202 0.750466 Fe\n0.999536 0.499194 0.000385 Fe\n0.249621 0.999192 0.250460 Fe\n0.499534 0.499207 0.500375 Fe\n0.374518 0.750262 0.374865 Sb\n0.874518 0.750262 0.874866 Sb\n0.124520 0.250258 0.124866 Sb\n0.624518 0.250264 0.624864 Sb\n0.125136 0.750264 0.125482 Sb\n0.625134 0.750259 0.625481 Sb\n0.875134 0.250261 0.875482 Sb\n0.375135 0.250262 0.375482 Sb\n0.000414 0.999656 0.499586 Sb\n0.500409 0.999655 0.999591 Sb\n0.750409 0.499654 0.249591 Sb\n0.250414 0.499656 0.749586 Sb\n0.249319 0.998551 0.750682 Pb\n0.749320 0.998547 0.250680 Pb\n0.999319 0.498549 0.500680 Pb\n0.499319 0.498549 0.000681 Pb\n0.373182 0.751489 0.874251 Pb\n0.873183 0.751489 0.374251 Pb\n0.123185 0.251486 0.624249 Pb\n0.623182 0.251490 0.124255 Pb\n0.125751 0.751485 0.626815 Pb\n0.625745 0.751490 0.126817 Pb\n0.875749 0.251489 0.376818 Pb\n0.375750 0.251488 0.876818 Pb\n0.002039 0.998927 0.997971 Pb\n0.502034 0.998926 0.497965 Pb\n0.752031 0.498927 0.747963 Pb\n0.252035 0.498927 0.247966 Pb\n0.562098 0.624202 0.937902 O\n0.062099 0.624202 0.437901 O\n0.312098 0.124203 0.687903 O\n0.812098 0.124203 0.187903 O\n0.363182 0.627754 0.436119 O\n0.863172 0.627758 0.936118 O\n0.113172 0.127761 0.186109 O\n0.613163 0.127764 0.686106 O\n0.563891 0.627762 0.636828 O\n0.063893 0.627764 0.136837 O\n0.313881 0.127753 0.386818 O\n0.813882 0.127758 0.886828 O\n0.664226 0.427061 0.335767 O\n0.164233 0.427053 0.835759 O\n0.414233 0.927060 0.085774 O\n0.914241 0.927053 0.585766 O\n0.010923 0.124111 0.687944 O\n0.510923 0.124111 0.187945 O\n0.760924 0.624107 0.437946 O\n0.260925 0.624107 0.937946 O\n0.562056 0.624111 0.239077 O\n0.062056 0.624111 0.739077 O\n0.312054 0.124107 0.989076 O\n0.812054 0.124107 0.489075 O\n0.462622 0.822973 0.537380 O\n0.962621 0.822974 0.037381 O\n0.212619 0.322973 0.287379 O\n0.712619 0.322974 0.787379 O\n0.384219 0.872657 0.313667 O\n0.884229 0.872653 0.813668 O\n0.134237 0.372647 0.063680 O\n0.634227 0.372650 0.563678 O\n0.186322 0.872650 0.115772 O\n0.686320 0.872647 0.615764 O\n0.936333 0.372653 0.865770 O\n0.436334 0.372657 0.365781 O\n0.087366 0.070558 0.412637 O\n0.587358 0.070566 0.912645 O\n0.837354 0.570566 0.162641 O\n0.337363 0.570558 0.662634 O\n0.741125 0.376086 0.061966 O\n0.241126 0.376086 0.561964 O\n0.491122 0.876090 0.811966 O\n0.991124 0.876089 0.311965 O\n0.188035 0.876086 0.508874 O\n0.688034 0.876086 0.008875 O\n0.938035 0.376090 0.258878 O\n0.438034 0.376090 0.758876 O\n0.286504 0.679164 0.213495 O\n0.786504 0.679162 0.713494 O\n0.036506 0.179163 0.963496 O\n0.536506 0.179163 0.463496 O\n",
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"elements": [
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"O"
],
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"formula_full": "Fe4 Sb12 Pb16 O52",
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"updated_at": "2021-11-28T01:36:09.386000Z",
"spacegroup": 160
}
]
}