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{
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{
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{
"id": "mp-1035561",
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"structure_string": "Mg14 Fe1 Si1 O16\n1.0\n8.609907 0.000000 0.000000\n0.000000 8.609907 0.000000\n0.000000 0.000000 4.279787\nMg Fe Si O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.252102 0.500000 Mg\n0.000000 0.747898 0.500000 Mg\n0.500000 0.247236 0.500000 Mg\n0.500000 0.752764 0.500000 Mg\n0.252102 0.000000 0.500000 Mg\n0.247236 0.500000 0.500000 Mg\n0.747898 0.000000 0.500000 Mg\n0.752764 0.500000 0.500000 Mg\n0.248588 0.248588 0.000000 Mg\n0.248588 0.751412 0.000000 Mg\n0.751412 0.248588 0.000000 Mg\n0.751412 0.751412 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Si\n0.254235 0.000000 0.000000 O\n0.239516 0.500000 0.000000 O\n0.745765 0.000000 0.000000 O\n0.760484 0.500000 0.000000 O\n0.250016 0.250016 0.500000 O\n0.250016 0.749984 0.500000 O\n0.749984 0.250016 0.500000 O\n0.749984 0.749984 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.254235 0.000000 O\n0.000000 0.745765 0.000000 O\n0.500000 0.239516 0.000000 O\n0.500000 0.760484 0.000000 O\n",
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{
"id": "mp-1186771",
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"structure_string": "Sr1 Yb3\n1.0\n0.000000 4.390469 4.390469\n4.390469 0.000000 4.390469\n4.390469 4.390469 0.000000\nSr Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
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{
"id": "mp-1180492",
"created_at": "2022-09-04T14:40:23.454778Z",
"structure_string": "Na8 B20 O44\n1.0\n6.461626 0.000000 0.000000\n0.000000 11.381856 0.000000\n0.000000 0.022929 11.856298\nNa B O\n8 20 44\ndirect\n0.242538 0.042494 0.233504 Na\n0.757462 0.042494 0.733504 Na\n0.094619 0.868000 0.538835 Na\n0.905381 0.868000 0.038835 Na\n0.405912 0.367565 0.453055 Na\n0.594088 0.367565 0.953055 Na\n0.258249 0.542188 0.757987 Na\n0.741751 0.542188 0.257987 Na\n0.893026 0.299161 0.148690 B\n0.106974 0.299161 0.648690 B\n0.232421 0.387324 0.215881 B\n0.767579 0.387324 0.715881 B\n0.133400 0.385115 0.007509 B\n0.866600 0.385115 0.507509 B\n0.535440 0.250904 0.216184 B\n0.464560 0.250904 0.716184 B\n0.788691 0.095507 0.204706 B\n0.211309 0.095507 0.704706 B\n0.393065 0.798767 0.343053 B\n0.606935 0.798767 0.843053 B\n0.288375 0.595316 0.286621 B\n0.711625 0.595316 0.786621 B\n0.035528 0.750865 0.275187 B\n0.964472 0.750865 0.775187 B\n0.732989 0.887185 0.276320 B\n0.267011 0.887185 0.776320 B\n0.632236 0.884858 0.484031 B\n0.367764 0.884858 0.984031 B\n0.007745 0.377421 0.225607 O\n0.992255 0.377421 0.725607 O\n0.271988 0.413738 0.093565 O\n0.728012 0.413738 0.593565 O\n0.947194 0.332264 0.030719 O\n0.052806 0.332264 0.530719 O\n0.668992 0.325379 0.162342 O\n0.331008 0.325379 0.662342 O\n0.594068 0.135289 0.239931 O\n0.405932 0.135289 0.739931 O\n0.934272 0.172654 0.166605 O\n0.065728 0.172654 0.666605 O\n0.434265 0.672324 0.324974 O\n0.565735 0.672324 0.824974 O\n0.094419 0.635515 0.250713 O\n0.905581 0.635515 0.750713 O\n0.169153 0.825065 0.329190 O\n0.830847 0.825065 0.829190 O\n0.508266 0.877231 0.266184 O\n0.491734 0.877231 0.766184 O\n0.771687 0.913662 0.398528 O\n0.228313 0.913662 0.898528 O\n0.446805 0.831047 0.461105 O\n0.553195 0.831047 0.961105 O\n0.328045 0.477828 0.286432 O\n0.671955 0.477828 0.786432 O\n0.829255 0.977978 0.205728 O\n0.170745 0.977978 0.705728 O\n0.336932 0.276010 0.246099 O\n0.663068 0.276010 0.746099 O\n0.207216 0.409653 0.902144 O\n0.792784 0.409653 0.402144 O\n0.836768 0.775999 0.245940 O\n0.163232 0.775999 0.745940 O\n0.704495 0.910983 0.589455 O\n0.295505 0.910983 0.089455 O\n0.080532 0.030378 0.417958 O\n0.919468 0.030378 0.917958 O\n0.001147 0.652117 0.540911 O\n0.998853 0.652117 0.040911 O\n0.480101 0.148206 0.448547 O\n0.519899 0.148206 0.948547 O\n0.430125 0.528512 0.574657 O\n0.569875 0.528512 0.074657 O\n",
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{
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"structure_string": "B48 O6\n1.0\n5.308397 7.390862 0.000000\n-5.308397 7.390862 0.000000\n0.000000 0.236271 5.136514\nB O\n48 6\ndirect\n0.100798 0.100798 0.122577 B\n0.000355 0.000355 0.664457 B\n0.503093 0.996276 0.164534 B\n0.668645 0.996290 0.330043 B\n0.166843 0.000379 0.831083 B\n0.338346 0.102088 0.361158 B\n0.500814 0.167013 0.331393 B\n0.000379 0.166843 0.831083 B\n0.102088 0.338346 0.361158 B\n0.599224 0.102038 0.622355 B\n0.899330 0.162122 0.140128 B\n0.393614 0.176393 0.642510 B\n0.497614 0.331552 0.163029 B\n0.996276 0.503093 0.164534 B\n0.661761 0.400814 0.141575 B\n0.176393 0.393614 0.642510 B\n0.167013 0.500814 0.331393 B\n0.331552 0.497614 0.163029 B\n0.837878 0.100670 0.859872 B\n0.499868 0.499868 0.335264 B\n0.996290 0.668645 0.330043 B\n0.897962 0.400776 0.377645 B\n0.393666 0.393666 0.859919 B\n0.599186 0.338239 0.858425 B\n0.102038 0.599224 0.622355 B\n0.606334 0.606334 0.140081 B\n0.400814 0.661761 0.141575 B\n0.003710 0.331355 0.669957 B\n0.500132 0.500132 0.664736 B\n0.162122 0.899330 0.140128 B\n0.668448 0.502386 0.836971 B\n0.832987 0.499186 0.668607 B\n0.823607 0.606386 0.357490 B\n0.338239 0.599186 0.858425 B\n0.003724 0.496907 0.835466 B\n0.502386 0.668448 0.836971 B\n0.400776 0.897962 0.377645 B\n0.100670 0.837878 0.859872 B\n0.606386 0.823607 0.357490 B\n0.897912 0.661654 0.638842 B\n0.499186 0.832987 0.668607 B\n0.999621 0.833157 0.168917 B\n0.661654 0.897912 0.638842 B\n0.331355 0.003710 0.669957 B\n0.833157 0.999621 0.168917 B\n0.496907 0.003724 0.835466 B\n0.999645 0.999645 0.335543 B\n0.899202 0.899202 0.877423 B\n0.190427 0.190427 0.239143 O\n0.810102 0.310577 0.258960 O\n0.689423 0.189898 0.741040 O\n0.310577 0.810102 0.258960 O\n0.189898 0.689423 0.741040 O\n0.809573 0.809573 0.760857 O\n",
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{
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{
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"structure_string": "Ba6 Sr2 Ta4 O18\n1.0\n3.047695 -5.278763 0.000000\n3.047695 5.278763 0.000000\n0.000000 0.000000 15.990087\nBa Sr Ta O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.876564 Ba\n0.666667 0.333333 0.376564 Ba\n0.666667 0.333333 0.123436 Ba\n0.333333 0.666667 0.623436 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.156341 Ta\n0.666667 0.333333 0.656341 Ta\n0.666667 0.333333 0.843659 Ta\n0.333333 0.666667 0.343659 Ta\n0.482009 0.964017 0.250000 O\n0.517991 0.482009 0.750000 O\n0.964017 0.482009 0.750000 O\n0.035983 0.517991 0.250000 O\n0.482009 0.517991 0.250000 O\n0.517991 0.035983 0.750000 O\n0.173552 0.347103 0.398509 O\n0.826448 0.173552 0.898509 O\n0.347103 0.173552 0.898509 O\n0.652897 0.826448 0.398509 O\n0.173552 0.826448 0.398509 O\n0.826448 0.652897 0.601491 O\n0.826448 0.173552 0.601491 O\n0.826448 0.652897 0.898509 O\n0.347103 0.173552 0.601491 O\n0.652897 0.826448 0.101491 O\n0.173552 0.347103 0.101491 O\n0.173552 0.826448 0.101491 O\n",
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{
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{
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},
{
"id": "mp-1188408",
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"structure_string": "Zr10 Sn6 B2\n1.0\n4.289103 -7.428944 0.000000\n4.289103 7.428944 0.000000\n0.000000 0.000000 5.837289\nZr Sn B\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.770118 0.770118 0.750000 Zr\n0.229882 0.000000 0.750000 Zr\n0.000000 0.229882 0.750000 Zr\n0.229882 0.229882 0.250000 Zr\n0.770118 0.000000 0.250000 Zr\n0.000000 0.770118 0.250000 Zr\n0.397925 0.397925 0.750000 Sn\n0.602075 0.000000 0.750000 Sn\n0.000000 0.602075 0.750000 Sn\n0.602075 0.602075 0.250000 Sn\n0.397925 0.000000 0.250000 Sn\n0.000000 0.397925 0.250000 Sn\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
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"formula_full": "Zr10 Sn6 B2",
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{
"id": "mp-1216393",
"created_at": "2022-09-04T14:40:23.431246Z",
"structure_string": "Zn3 Fe2 Cu10 Sn5 Se20\n1.0\n2.884733 6.426367 0.000000\n-2.884733 6.426367 0.000000\n0.000000 0.155952 25.801678\nZn Fe Cu Sn Se\n3 2 10 5 20\ndirect\n0.000177 0.599893 0.800013 Zn\n0.199994 0.800006 0.000000 Zn\n0.400107 0.999823 0.199987 Zn\n0.599643 0.200338 0.400034 Fe\n0.799662 0.400357 0.599966 Fe\n0.299967 0.900031 0.850032 Cu\n0.699097 0.300520 0.250125 Cu\n0.500041 0.100045 0.049987 Cu\n0.101326 0.698930 0.649899 Cu\n0.899954 0.499917 0.450003 Cu\n0.699480 0.300903 0.749875 Cu\n0.099969 0.700033 0.149968 Cu\n0.899955 0.499959 0.950013 Cu\n0.500083 0.100046 0.549997 Cu\n0.301070 0.898674 0.350101 Cu\n0.399789 0.999717 0.699704 Sn\n0.800203 0.399677 0.100082 Sn\n0.600323 0.199797 0.899918 Sn\n0.199380 0.800620 0.500000 Sn\n0.000283 0.600211 0.300296 Sn\n0.507493 0.572767 0.673113 Se\n0.699241 0.779693 0.875196 Se\n0.899354 0.979661 0.075135 Se\n0.100996 0.176275 0.274940 Se\n0.307793 0.370548 0.473104 Se\n0.081732 0.205103 0.779536 Se\n0.283415 0.403337 0.979104 Se\n0.483045 0.603616 0.179328 Se\n0.679238 0.814456 0.380189 Se\n0.878180 0.015533 0.580428 Se\n0.396384 0.516955 0.820672 Se\n0.596663 0.716585 0.020896 Se\n0.794897 0.918268 0.220464 Se\n0.984467 0.121820 0.419572 Se\n0.185544 0.320762 0.619811 Se\n0.020339 0.100646 0.924865 Se\n0.220307 0.300759 0.124804 Se\n0.427233 0.492507 0.326887 Se\n0.629452 0.692207 0.526896 Se\n0.823725 0.899004 0.725060 Se\n",
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}