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{
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{
"id": "mp-1196828",
"created_at": "2022-09-04T14:42:21.229020Z",
"structure_string": "Na4 Li4 Mg4 P4 O16 F4\n1.0\n11.346737 0.000000 0.000000\n0.000000 5.082258 0.000000\n0.000000 0.002510 6.896340\nNa Li Mg P O F\n4 4 4 4 16 4\ndirect\n0.665413 0.753091 0.511399 Na\n0.165413 0.746909 0.488601 Na\n0.334587 0.246909 0.488601 Na\n0.834587 0.253091 0.511399 Na\n0.580184 0.263222 0.740257 Li\n0.080184 0.236778 0.259743 Li\n0.419816 0.736778 0.259743 Li\n0.919816 0.763222 0.740257 Li\n0.328970 0.263463 0.018398 Mg\n0.828970 0.236537 0.981602 Mg\n0.671030 0.736537 0.981602 Mg\n0.171030 0.763463 0.018398 Mg\n0.418189 0.771268 0.754304 P\n0.918189 0.728732 0.245696 P\n0.581811 0.228732 0.245696 P\n0.081811 0.271268 0.754304 P\n0.376194 0.740127 0.542171 O\n0.876194 0.759873 0.457829 O\n0.623806 0.259873 0.457829 O\n0.123806 0.240127 0.542171 O\n0.328305 0.631295 0.890882 O\n0.828305 0.868705 0.109118 O\n0.671695 0.368705 0.109118 O\n0.171695 0.131295 0.890882 O\n0.426124 0.071096 0.805233 O\n0.926124 0.428904 0.194767 O\n0.573876 0.928904 0.194767 O\n0.073876 0.571096 0.805233 O\n0.541123 0.642394 0.782834 O\n0.041123 0.857606 0.217166 O\n0.458877 0.357606 0.217166 O\n0.958877 0.142394 0.782834 O\n0.212791 0.464422 0.199264 F\n0.712791 0.035578 0.800736 F\n0.787209 0.535578 0.800736 F\n0.287209 0.964422 0.199264 F\n",
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{
"id": "mp-569770",
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"structure_string": "Si16 H96 C32\n1.0\n10.655335 0.000000 0.000000\n0.284474 10.667415 0.000000\n0.287416 3.392115 14.355913\nSi H C\n16 96 32\ndirect\n0.952487 0.794871 0.999869 Si\n0.650599 0.417091 0.604440 Si\n0.134008 0.886971 0.917351 Si\n0.047513 0.205129 0.000131 Si\n0.291564 0.727501 0.907998 Si\n0.206659 0.048260 0.989502 Si\n0.195788 0.244270 0.428123 Si\n0.520253 0.282550 0.541083 Si\n0.793341 0.951740 0.010498 Si\n0.865992 0.113029 0.082649 Si\n0.320156 0.378385 0.497186 Si\n0.479747 0.717450 0.458917 Si\n0.679844 0.621615 0.502814 Si\n0.708436 0.272499 0.092002 Si\n0.349401 0.582909 0.395560 Si\n0.804212 0.755730 0.571877 Si\n0.382150 0.679302 0.620020 H\n0.907549 0.667000 0.162615 H\n0.225084 0.300252 0.657680 H\n0.447463 0.653392 0.236221 H\n0.791342 0.641581 0.968744 H\n0.297427 0.800436 0.540273 H\n0.687156 0.816575 0.153317 H\n0.347515 0.906949 0.108137 H\n0.634208 0.856937 0.654424 H\n0.016042 0.041265 0.788156 H\n0.895866 0.885698 0.422056 H\n0.136284 0.433126 0.593756 H\n0.591191 0.443062 0.978233 H\n0.701802 0.719305 0.730192 H\n0.640002 0.488023 0.755957 H\n0.417955 0.856874 0.774396 H\n0.056156 0.405010 0.321608 H\n0.421953 0.073389 0.913994 H\n0.983958 0.958735 0.211844 H\n0.852508 0.437056 0.128965 H\n0.756636 0.961461 0.453449 H\n0.304871 0.536939 0.836444 H\n0.617850 0.320698 0.379980 H\n0.312844 0.183425 0.846683 H\n0.945254 0.105436 0.244389 H\n0.695129 0.463061 0.163556 H\n0.720031 0.540769 0.355510 H\n0.898711 0.970965 0.512256 H\n0.978988 0.257299 0.365089 H\n0.856551 0.313575 0.569523 H\n0.477318 0.872701 0.882621 H\n0.374029 0.215583 0.949935 H\n0.133466 0.279887 0.136846 H\n0.792580 0.230468 0.678126 H\n0.298198 0.280695 0.269808 H\n0.558387 0.162932 0.414015 H\n0.243364 0.038539 0.546551 H\n0.789664 0.338840 0.232715 H\n0.489125 0.498611 0.705418 H\n0.007399 0.630942 0.563390 H\n0.958605 0.237269 0.838425 H\n0.143449 0.686425 0.430477 H\n0.104134 0.114302 0.577944 H\n0.447522 0.057039 0.609396 H\n0.041395 0.762731 0.161575 H\n0.365792 0.143063 0.345576 H\n0.441613 0.837068 0.585985 H\n0.774916 0.699748 0.342320 H\n0.055051 0.408381 0.058824 H\n0.147492 0.562944 0.871035 H\n0.992601 0.369058 0.436610 H\n0.552537 0.346608 0.763779 H\n0.258405 0.585291 0.067892 H\n0.054431 0.618514 0.121481 H\n0.208658 0.358419 0.031256 H\n0.625971 0.784417 0.050065 H\n0.092451 0.333000 0.837385 H\n0.130694 0.621310 0.330596 H\n0.588519 0.086396 0.662854 H\n0.411481 0.913604 0.337146 H\n0.171458 0.011152 0.751752 H\n0.210336 0.661160 0.767285 H\n0.863716 0.566874 0.406244 H\n0.943844 0.594990 0.678392 H\n0.380762 0.694627 0.068209 H\n0.054746 0.894564 0.755611 H\n0.944949 0.591619 0.941176 H\n0.194076 0.916931 0.154976 H\n0.021012 0.742701 0.634911 H\n0.297597 0.047067 0.145875 H\n0.552478 0.942961 0.390604 H\n0.510875 0.501389 0.294582 H\n0.408809 0.556938 0.021767 H\n0.207420 0.769532 0.321874 H\n0.619238 0.305373 0.931791 H\n0.828542 0.988848 0.248248 H\n0.866534 0.720113 0.863154 H\n0.522682 0.127299 0.117379 H\n0.490266 0.269982 0.157012 H\n0.805924 0.083069 0.845024 H\n0.578047 0.926611 0.086006 H\n0.702573 0.199564 0.459727 H\n0.741595 0.414709 0.932108 H\n0.582045 0.143126 0.225604 H\n0.509734 0.730018 0.842988 H\n0.652485 0.093051 0.891863 H\n0.279969 0.459231 0.644490 H\n0.783920 0.866427 0.702825 H\n0.101289 0.029035 0.487744 H\n0.945569 0.381486 0.878519 H\n0.869306 0.378690 0.669404 H\n0.443209 0.149361 0.695359 H\n0.702403 0.952933 0.854125 H\n0.556791 0.850639 0.304641 H\n0.216080 0.133573 0.297175 H\n0.359998 0.511977 0.244043 H\n0.502195 0.870441 0.363987 C\n0.041857 0.327275 0.384040 C\n0.497805 0.129559 0.636013 C\n0.089491 0.966174 0.791443 C\n0.423914 0.560030 0.282118 C\n0.232470 0.611706 0.839340 C\n0.341498 0.138620 0.918253 C\n0.767530 0.388294 0.160660 C\n0.232281 0.394727 0.608732 C\n0.607727 0.237361 0.439066 C\n0.842065 0.907312 0.481174 C\n0.658502 0.861380 0.081747 C\n0.007101 0.297472 0.877196 C\n0.910509 0.033826 0.208557 C\n0.722863 0.803787 0.674105 C\n0.562770 0.195540 0.153748 C\n0.958143 0.672725 0.615960 C\n0.882080 0.676150 0.937174 C\n0.992899 0.702528 0.122804 C\n0.767719 0.605273 0.391268 C\n0.192922 0.673325 0.367133 C\n0.277137 0.196213 0.325895 C\n0.576086 0.439970 0.717882 C\n0.807078 0.326675 0.632867 C\n0.392273 0.762639 0.560934 C\n0.661241 0.367402 0.972410 C\n0.338759 0.632598 0.027590 C\n0.732990 0.027301 0.889039 C\n0.437230 0.804460 0.846252 C\n0.117920 0.323850 0.062826 C\n0.267010 0.972699 0.110961 C\n0.157935 0.092688 0.518826 C\n",
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"formula_full": "Si16 H96 C32",
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},
{
"id": "mp-1104687",
"created_at": "2022-09-04T14:42:24.513193Z",
"structure_string": "Ho10 Ir4\n1.0\n0.000000 6.485312 0.000000\n-0.008114 0.000000 7.170224\n7.759714 -3.242656 -0.918270\nHo Ir\n10 4\ndirect\n0.969722 0.918281 0.181771 Ho\n0.787952 0.581719 0.818229 Ho\n0.030278 0.081719 0.818229 Ho\n0.212048 0.418281 0.181771 Ho\n0.654005 0.818647 0.442434 Ho\n0.211571 0.681353 0.557566 Ho\n0.345995 0.181353 0.557566 Ho\n0.788429 0.318647 0.442434 Ho\n0.427291 0.750000 0.000000 Ho\n0.572709 0.250000 0.000000 Ho\n0.827204 0.573362 0.218958 Ir\n0.608247 0.926638 0.781042 Ir\n0.172796 0.426638 0.781042 Ir\n0.391753 0.073362 0.218958 Ir\n",
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{
"id": "mp-1199467",
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"structure_string": "Lu20 Ge16\n1.0\n7.486123 0.000000 0.000000\n0.000000 7.553104 0.000000\n0.000000 0.000000 14.386765\nLu Ge\n20 16\ndirect\n0.620201 0.161457 0.618105 Lu\n0.120201 0.338543 0.881895 Lu\n0.379799 0.838543 0.118105 Lu\n0.879799 0.661457 0.381895 Lu\n0.379799 0.838543 0.381895 Lu\n0.879799 0.661457 0.118105 Lu\n0.620201 0.161457 0.881895 Lu\n0.120201 0.338543 0.618105 Lu\n0.469615 0.676195 0.600148 Lu\n0.969615 0.823805 0.899852 Lu\n0.530385 0.323805 0.100148 Lu\n0.030385 0.176195 0.399852 Lu\n0.530385 0.323805 0.399852 Lu\n0.030385 0.176195 0.100148 Lu\n0.469615 0.676195 0.899852 Lu\n0.969615 0.823805 0.600148 Lu\n0.784769 0.498564 0.750000 Lu\n0.284769 0.001436 0.750000 Lu\n0.215231 0.501436 0.250000 Lu\n0.715231 0.998564 0.250000 Lu\n0.719435 0.967818 0.456177 Ge\n0.219435 0.532182 0.043823 Ge\n0.280565 0.032182 0.956177 Ge\n0.780565 0.467818 0.543823 Ge\n0.280565 0.032182 0.543823 Ge\n0.780565 0.467818 0.956177 Ge\n0.719435 0.967818 0.043823 Ge\n0.219435 0.532182 0.456177 Ge\n0.417216 0.379695 0.750000 Ge\n0.917216 0.120305 0.750000 Ge\n0.582784 0.620305 0.250000 Ge\n0.082784 0.879695 0.250000 Ge\n0.660765 0.859062 0.750000 Ge\n0.160765 0.640938 0.750000 Ge\n0.339235 0.140938 0.250000 Ge\n0.839235 0.359062 0.250000 Ge\n",
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{
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{
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"structure_string": "Ba8 Ru6 O20\n1.0\n13.304014 0.000000 0.000000\n0.000000 5.857381 0.000000\n0.000000 2.884665 6.728140\nBa Ru O\n8 6 20\ndirect\n0.639766 0.965568 0.070999 Ba\n0.139766 0.534432 0.929001 Ba\n0.360234 0.034432 0.929001 Ba\n0.860234 0.465568 0.070999 Ba\n0.110914 0.240195 0.517588 Ba\n0.610914 0.259805 0.482412 Ba\n0.889086 0.759805 0.482412 Ba\n0.389086 0.740195 0.517588 Ba\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n0.350929 0.374138 0.247413 Ru\n0.850929 0.125862 0.752587 Ru\n0.649071 0.625862 0.752587 Ru\n0.149071 0.874138 0.247413 Ru\n0.650626 0.469664 0.071211 O\n0.150626 0.030336 0.928789 O\n0.349374 0.530336 0.928789 O\n0.849374 0.969664 0.071211 O\n0.536978 0.375945 0.782428 O\n0.036978 0.124055 0.217572 O\n0.463022 0.624055 0.217572 O\n0.963022 0.875945 0.782428 O\n0.533565 0.839099 0.780644 O\n0.033565 0.660901 0.219356 O\n0.466435 0.160901 0.219356 O\n0.966435 0.339099 0.780644 O\n0.646789 0.767696 0.463340 O\n0.146789 0.732304 0.536660 O\n0.353211 0.232304 0.536660 O\n0.853211 0.267696 0.463340 O\n0.752807 0.379266 0.758054 O\n0.252807 0.120734 0.241946 O\n0.247193 0.620734 0.241946 O\n0.747193 0.879266 0.758054 O\n",
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{
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"created_at": "2022-09-04T14:42:29.517043Z",
"structure_string": "Ga3 Pt2\n1.0\n2.145288 -3.715747 0.000000\n2.145288 3.715747 0.000000\n0.000000 0.000000 5.331121\nGa Pt\n3 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.333333 0.666667 0.643567 Ga\n0.666667 0.333333 0.356433 Ga\n0.333333 0.666667 0.165651 Pt\n0.666667 0.333333 0.834349 Pt\n",
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