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{
"id": "mp-1106279",
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"structure_string": "Bi4 I12\n1.0\n13.276312 0.000000 0.000000\n0.000000 8.031667 0.000000\n0.000000 3.749995 8.322335\nBi I\n4 12\ndirect\n0.331896 0.414782 0.026121 Bi\n0.831896 0.085218 0.973879 Bi\n0.668104 0.585218 0.973879 Bi\n0.168104 0.914782 0.026121 Bi\n0.529395 0.284425 0.219925 I\n0.029395 0.215575 0.780075 I\n0.470605 0.715575 0.780075 I\n0.970605 0.784425 0.219925 I\n0.345425 0.173766 0.832224 I\n0.845425 0.326234 0.167776 I\n0.654575 0.826234 0.167776 I\n0.154575 0.673766 0.832224 I\n0.210364 0.091549 0.267162 I\n0.710364 0.408451 0.732838 I\n0.789636 0.908451 0.732838 I\n0.289636 0.591549 0.267162 I\n",
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{
"id": "mp-1519627",
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"structure_string": "K1 Sr1 Pr1 Mn1 O6\n1.0\n0.000000 -4.234278 -4.234278\n4.234278 0.000000 -4.234278\n4.234278 -4.234278 0.000000\nK Sr Pr Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n-0.000000 -0.000000 -0.000000 Mn\n0.774908 0.225092 0.225092 O\n0.225092 0.774908 0.774908 O\n0.774908 0.225092 0.774908 O\n0.225092 0.774908 0.225092 O\n0.774908 0.774908 0.225092 O\n0.225092 0.225092 0.774908 O\n",
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{
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"created_at": "2022-09-04T14:40:15.642310Z",
"structure_string": "Na2 Ca29 Zr1 Si16 O56 F16\n1.0\n7.750275 0.000000 0.000000\n0.283484 11.377402 0.000000\n1.907185 1.569571 20.074066\nNa Ca Zr Si O F\n2 29 1 16 56 16\ndirect\n0.848981 0.136926 0.444563 Na\n0.369249 0.625318 0.302906 Na\n0.162479 0.577670 0.924018 Ca\n0.354545 0.005259 0.661365 Ca\n0.327885 0.727116 0.782789 Ca\n0.410975 0.118646 0.956790 Ca\n0.607888 0.861001 0.521645 Ca\n0.685862 0.353150 0.712827 Ca\n0.711439 0.923896 0.820349 Ca\n0.838539 0.991307 0.157900 Ca\n0.583380 0.425852 0.912069 Ca\n0.840037 0.648344 0.184016 Ca\n0.912332 0.602618 0.576617 Ca\n0.794527 0.082821 0.633455 Ca\n0.097627 0.848980 0.010423 Ca\n0.808560 0.598323 0.782875 Ca\n0.133853 0.421539 0.226527 Ca\n0.901221 0.132996 0.989774 Ca\n0.161021 0.897939 0.323192 Ca\n0.091976 0.453572 0.426390 Ca\n0.102567 0.915952 0.536762 Ca\n0.189813 0.378225 0.756000 Ca\n0.424782 0.548913 0.100934 Ca\n0.137421 0.001342 0.830998 Ca\n0.282068 0.079838 0.187336 Ca\n0.429744 0.181884 0.493617 Ca\n0.395587 0.533253 0.589944 Ca\n0.572042 0.871695 0.054013 Ca\n0.619660 0.353105 0.248108 Ca\n0.629260 0.995944 0.327710 Ca\n0.870084 0.386581 0.079971 Ca\n0.639933 0.506739 0.405018 Zr\n0.457639 0.126474 0.773473 Si\n0.537475 0.734341 0.910849 Si\n0.750044 0.350629 0.514656 Si\n0.670061 0.772155 0.660089 Si\n0.963564 0.156244 0.271731 Si\n0.936111 0.739924 0.422479 Si\n0.767398 0.196227 0.863827 Si\n0.781255 0.622139 0.010528 Si\n0.245701 0.352553 0.998315 Si\n0.228638 0.784796 0.144559 Si\n0.022696 0.312330 0.618606 Si\n0.991071 0.841780 0.716781 Si\n0.226045 0.143733 0.377857 Si\n0.293661 0.684634 0.464307 Si\n0.485578 0.247653 0.102593 Si\n0.512023 0.865421 0.223595 Si\n0.078164 0.270986 0.017655 O\n0.265077 0.184372 0.785920 O\n0.214722 0.804101 0.886719 O\n0.228559 0.477363 0.033702 O\n0.340021 0.808292 0.939617 O\n0.293762 0.377148 0.918460 O\n0.679172 0.221243 0.541048 O\n0.628882 0.685769 0.602194 O\n0.430581 0.982012 0.780128 O\n0.602715 0.727023 0.736302 O\n0.559993 0.166829 0.701146 O\n0.455548 0.610428 0.892389 O\n0.574612 0.155463 0.835548 O\n0.756532 0.184499 0.280977 O\n0.603375 0.705681 0.991100 O\n0.880621 0.843387 0.369167 O\n0.590388 0.449496 0.513863 O\n0.878125 0.070373 0.864375 O\n0.907691 0.771161 0.500802 O\n0.826942 0.361715 0.435697 O\n0.609469 0.906254 0.636838 O\n0.913802 0.395863 0.553958 O\n0.894925 0.772215 0.658208 O\n0.125808 0.584169 0.148533 O\n0.996444 0.018497 0.251271 O\n0.161164 0.411004 0.634447 O\n0.953546 0.774346 0.791452 O\n0.149753 0.668085 0.202153 O\n0.860087 0.284871 0.795432 O\n0.089369 0.233170 0.216321 O\n0.863781 0.605331 0.419123 O\n0.904377 0.972965 0.723146 O\n0.926737 0.398220 0.816804 O\n0.033917 0.176359 0.346655 O\n0.160774 0.728927 0.404309 O\n0.333717 0.065605 0.322267 O\n0.321265 0.784781 0.514908 O\n0.155286 0.206762 0.571424 O\n0.048939 0.853519 0.126733 O\n0.197717 0.569726 0.505908 O\n0.104167 0.088748 0.608139 O\n0.429314 0.279813 0.021049 O\n0.199013 0.841014 0.694178 O\n0.302470 0.866604 0.204550 O\n0.582621 0.365957 0.120913 O\n0.493001 0.819330 0.300800 O\n0.533237 0.353135 0.369517 O\n0.565244 0.005024 0.213242 O\n0.397445 0.447037 0.379950 O\n0.483537 0.650140 0.427996 O\n0.736180 0.595001 0.091032 O\n0.655520 0.147924 0.074462 O\n0.784525 0.495429 0.976846 O\n0.826009 0.175159 0.099686 O\n0.647766 0.802561 0.169333 O\n0.959264 0.691013 0.988271 O\n0.155107 0.035881 0.944800 F\n0.443964 0.452399 0.690369 F\n0.597321 0.042781 0.434512 F\n0.596053 0.454495 0.801910 F\n0.859042 0.436608 0.194403 F\n0.603173 0.977448 0.953607 F\n0.837032 0.997238 0.533593 F\n0.836906 0.520225 0.683447 F\n0.088617 0.495853 0.320026 F\n0.131394 0.013623 0.431085 F\n0.352569 0.009255 0.060677 F\n0.164447 0.563411 0.804158 F\n0.408328 0.487200 0.219740 F\n0.391932 0.005967 0.547247 F\n0.688015 0.548858 0.297961 F\n0.846133 0.949079 0.040654 F\n",
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"formula_full": "Na2 Ca29 Zr1 Si16 O56 F16",
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{
"id": "mp-1218419",
"created_at": "2022-09-04T14:40:15.642699Z",
"structure_string": "Sr2 Ca2 Hf4 O12\n1.0\n5.706400 0.000000 0.000000\n0.000000 5.805822 0.000000\n0.000000 0.000000 8.130775\nSr Ca Hf O\n2 2 4 12\ndirect\n0.240043 0.464815 0.500000 Sr\n0.759957 0.964815 0.500000 Sr\n0.258774 0.539952 0.000000 Ca\n0.741226 0.039952 0.000000 Ca\n0.751362 0.500222 0.754544 Hf\n0.248638 0.000222 0.245456 Hf\n0.751362 0.500222 0.245456 Hf\n0.248638 0.000222 0.754544 Hf\n0.152206 0.967436 0.000000 O\n0.847794 0.467436 0.000000 O\n0.325066 0.018408 0.500000 O\n0.674934 0.518408 0.500000 O\n0.541316 0.791362 0.802830 O\n0.458684 0.291362 0.197170 O\n0.962042 0.213111 0.289539 O\n0.037958 0.713111 0.710461 O\n0.962042 0.213111 0.710461 O\n0.037958 0.713111 0.289539 O\n0.541316 0.791362 0.197170 O\n0.458684 0.291362 0.802830 O\n",
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"formula_full": "Sr2 Ca2 Hf4 O12",
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{
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{
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{
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{
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}