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{
"id": "mp-541367",
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"structure_string": "Sr4 Cd4 P16 O48\n1.0\n9.205691 0.000000 0.000000\n0.000000 7.199022 0.000000\n0.000000 6.915304 15.034991\nSr Cd P O\n4 4 16 48\ndirect\n0.894803 0.652109 0.363954 Sr\n0.394803 0.347891 0.136046 Sr\n0.105197 0.347891 0.636046 Sr\n0.605197 0.652109 0.863954 Sr\n0.258792 0.845220 0.653853 Cd\n0.758792 0.154780 0.846147 Cd\n0.741208 0.154780 0.346147 Cd\n0.241208 0.845220 0.153853 Cd\n0.511880 0.189592 0.675209 P\n0.011880 0.810408 0.824791 P\n0.488120 0.810408 0.324791 P\n0.988120 0.189592 0.175209 P\n0.756918 0.222516 0.546039 P\n0.256918 0.777484 0.953961 P\n0.243082 0.777484 0.453961 P\n0.743082 0.222516 0.046039 P\n0.839365 0.803857 0.560984 P\n0.339365 0.196143 0.939016 P\n0.160635 0.196143 0.439016 P\n0.660635 0.803857 0.060984 P\n0.598085 0.587271 0.679947 P\n0.098085 0.412729 0.820053 P\n0.401915 0.412729 0.320053 P\n0.901915 0.587271 0.179947 P\n0.594276 0.063462 0.758927 O\n0.094276 0.936538 0.741073 O\n0.405724 0.936538 0.241073 O\n0.905724 0.063462 0.258927 O\n0.356642 0.136778 0.665811 O\n0.856642 0.863222 0.834189 O\n0.643358 0.863222 0.334189 O\n0.143358 0.136778 0.165811 O\n0.596031 0.200658 0.587976 O\n0.096031 0.799342 0.912024 O\n0.403969 0.799342 0.412024 O\n0.903969 0.200658 0.087976 O\n0.854988 0.347203 0.576012 O\n0.354988 0.652797 0.923988 O\n0.145012 0.652797 0.423988 O\n0.645012 0.347203 0.076012 O\n0.734736 0.301097 0.446896 O\n0.234736 0.698903 0.053104 O\n0.265264 0.698903 0.553104 O\n0.765264 0.301097 0.946896 O\n0.815591 0.991718 0.589071 O\n0.315591 0.008282 0.910929 O\n0.184409 0.008282 0.410929 O\n0.684409 0.991718 0.089071 O\n0.681279 0.694280 0.586506 O\n0.181279 0.305720 0.913494 O\n0.318721 0.305720 0.413494 O\n0.818721 0.694280 0.086506 O\n0.849750 0.878141 0.461056 O\n0.349750 0.121859 0.038944 O\n0.150250 0.121859 0.538944 O\n0.650250 0.878141 0.961056 O\n0.959484 0.676284 0.616740 O\n0.459484 0.323716 0.883260 O\n0.040516 0.323716 0.383260 O\n0.540516 0.676284 0.116740 O\n0.497381 0.736970 0.693521 O\n0.997381 0.263030 0.806479 O\n0.502619 0.263030 0.306479 O\n0.002619 0.736970 0.193521 O\n0.503932 0.424842 0.660377 O\n0.003932 0.575158 0.839623 O\n0.496068 0.575158 0.339623 O\n0.996068 0.424842 0.160377 O\n0.703945 0.488970 0.755574 O\n0.203945 0.511030 0.744426 O\n0.296055 0.511030 0.244426 O\n0.796055 0.488970 0.255574 O\n",
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"volume": 996.3985030864789,
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"formula_full": "Sr4 Cd4 P16 O48",
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"energy": -530.05589475,
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},
{
"id": "mp-568446",
"created_at": "2022-09-04T14:44:08.759226Z",
"structure_string": "Er20 Si16\n1.0\n7.358029 0.000000 0.000000\n0.000000 7.633051 0.000000\n0.000000 0.000000 14.418572\nEr Si\n20 16\ndirect\n0.029244 0.817198 0.598232 Er\n0.529244 0.682802 0.598232 Er\n0.316295 0.821009 0.123021 Er\n0.816295 0.678991 0.123021 Er\n0.853203 0.512483 0.750000 Er\n0.470756 0.317198 0.098232 Er\n0.029244 0.817198 0.901768 Er\n0.470756 0.317198 0.401768 Er\n0.646797 0.012483 0.250000 Er\n0.529244 0.682802 0.901768 Er\n0.683705 0.178991 0.876979 Er\n0.183705 0.321009 0.623021 Er\n0.183705 0.321009 0.876979 Er\n0.816295 0.678991 0.376979 Er\n0.316295 0.821009 0.376979 Er\n0.353203 0.987517 0.750000 Er\n0.683705 0.178991 0.623021 Er\n0.146797 0.487517 0.250000 Er\n0.970756 0.182802 0.098232 Er\n0.970756 0.182802 0.401768 Er\n0.646272 0.971878 0.459383 Si\n0.234135 0.628798 0.750000 Si\n0.353728 0.028122 0.540617 Si\n0.018867 0.896203 0.250000 Si\n0.734135 0.871202 0.750000 Si\n0.265865 0.128798 0.250000 Si\n0.853728 0.471878 0.540617 Si\n0.481133 0.396203 0.750000 Si\n0.146272 0.528122 0.459383 Si\n0.146272 0.528122 0.040617 Si\n0.981133 0.103797 0.750000 Si\n0.765865 0.371202 0.250000 Si\n0.353728 0.028122 0.959383 Si\n0.853728 0.471878 0.959383 Si\n0.646272 0.971878 0.040617 Si\n0.518867 0.603797 0.250000 Si\n",
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"formula_full": "Er20 Si16",
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{
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"structure_string": "Ce1 Y4 Rh5\n1.0\n3.452399 0.000000 0.000000\n0.000000 3.452399 0.000000\n0.000000 0.000000 17.184096\nCe Y Rh\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.201890 Y\n0.000000 0.000000 0.400462 Y\n0.000000 0.000000 0.599538 Y\n0.000000 0.000000 0.798110 Y\n0.500000 0.500000 0.098369 Rh\n0.500000 0.500000 0.299753 Rh\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.700247 Rh\n0.500000 0.500000 0.901631 Rh\n",
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],
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"formula_full": "Ce1 Y4 Rh5",
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{
"id": "mp-16514",
"created_at": "2022-09-04T14:44:08.769743Z",
"structure_string": "Al3 Ni5\n1.0\n3.295058 -3.754748 0.000000\n3.295058 3.754748 0.000000\n0.000000 0.000000 3.740494\nAl Ni\n3 5\ndirect\n0.724468 0.275532 0.500000 Al\n0.275532 0.724468 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.774101 0.774101 0.500000 Ni\n0.225899 0.225899 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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{
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"created_at": "2022-09-04T14:44:08.643563Z",
"structure_string": "Sr4 La2 Mn4 O14\n1.0\n-3.879521 3.983319 0.000131\n-3.879949 -3.983750 -0.000141\n-1.939749 1.992012 10.049844\nSr La Mn O\n4 2 4 14\ndirect\n0.316861 0.000034 0.366353 Sr\n0.816999 0.500034 0.365958 Sr\n0.183037 0.500016 0.634070 Sr\n0.683190 0.999929 0.633624 Sr\n0.499997 0.000175 0.999974 La\n0.999885 0.499912 0.000004 La\n0.097615 0.000037 0.804788 Mn\n0.902202 0.000022 0.195136 Mn\n0.598875 0.499855 0.802335 Mn\n0.401049 0.499926 0.197801 Mn\n0.500151 0.499623 0.000015 O\n0.999866 0.000405 0.999996 O\n0.193444 0.000026 0.613562 O\n0.694218 0.499829 0.611377 O\n0.305492 0.500186 0.388653 O\n0.806840 0.999926 0.386408 O\n0.846322 0.754650 0.816396 O\n0.337248 0.245242 0.816437 O\n0.329005 0.762356 0.817861 O\n0.853397 0.237660 0.817675 O\n0.662788 0.754729 0.183547 O\n0.153689 0.245342 0.183629 O\n0.146811 0.762387 0.182071 O\n0.671017 0.237699 0.182328 O\n",
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{
"id": "mp-849320",
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"structure_string": "Na8 Li8 V12 P8 O52\n1.0\n12.348698 0.000000 0.000000\n0.000000 8.813682 0.000000\n0.000000 0.340657 10.301829\nNa Li V P O\n8 8 12 8 52\ndirect\n0.472240 0.379563 0.715403 Na\n0.027760 0.879563 0.715403 Na\n0.471551 0.932237 0.798293 Na\n0.028449 0.432237 0.798293 Na\n0.528449 0.067763 0.201707 Na\n0.971551 0.567763 0.201707 Na\n0.527760 0.620437 0.284597 Na\n0.972240 0.120437 0.284597 Na\n0.913892 0.190204 0.736859 Li\n0.586108 0.690204 0.736859 Li\n0.263396 0.631507 0.757883 Li\n0.236604 0.131507 0.757883 Li\n0.763396 0.868493 0.242117 Li\n0.736604 0.368493 0.242117 Li\n0.413892 0.309796 0.263141 Li\n0.086108 0.809796 0.263141 Li\n0.122760 0.243013 0.526507 V\n0.377240 0.743013 0.526507 V\n0.743148 0.427374 0.747017 V\n0.756852 0.927374 0.747017 V\n0.142120 0.757966 0.974098 V\n0.357880 0.257966 0.974098 V\n0.642120 0.742034 0.025902 V\n0.857880 0.242034 0.025902 V\n0.243148 0.072626 0.252983 V\n0.256852 0.572626 0.252983 V\n0.877240 0.756987 0.473493 V\n0.622760 0.256987 0.473493 V\n0.373502 0.120264 0.522779 P\n0.126498 0.620264 0.522779 P\n0.115197 0.128317 0.980103 P\n0.384803 0.628317 0.980103 P\n0.615197 0.371683 0.019897 P\n0.884803 0.871683 0.019897 P\n0.873502 0.379736 0.477221 P\n0.626498 0.879736 0.477221 P\n0.281233 0.218756 0.580624 O\n0.218767 0.718756 0.580624 O\n0.481548 0.192394 0.562560 O\n0.018452 0.692394 0.562560 O\n0.139378 0.458214 0.584742 O\n0.360622 0.958214 0.584742 O\n0.856003 0.871527 0.612933 O\n0.643997 0.371527 0.612933 O\n0.629608 0.880988 0.628329 O\n0.870392 0.380988 0.628329 O\n0.430406 0.653797 0.663823 O\n0.069594 0.153797 0.663823 O\n0.759851 0.117907 0.743800 O\n0.740149 0.617907 0.743800 O\n0.396260 0.160533 0.843275 O\n0.103740 0.660533 0.843275 O\n0.617115 0.392904 0.871078 O\n0.882885 0.892904 0.871078 O\n0.653838 0.859328 0.876545 O\n0.846162 0.359328 0.876545 O\n0.354006 0.479229 0.909656 O\n0.145994 0.979229 0.909656 O\n0.497721 0.687363 0.936158 O\n0.002279 0.187363 0.936158 O\n0.301467 0.750084 0.928652 O\n0.198533 0.250084 0.928652 O\n0.801467 0.749916 0.071348 O\n0.698533 0.249916 0.071348 O\n0.997721 0.812637 0.063842 O\n0.502279 0.312637 0.063842 O\n0.854006 0.020771 0.090344 O\n0.645994 0.520771 0.090344 O\n0.346162 0.140672 0.123455 O\n0.153838 0.640672 0.123455 O\n0.117115 0.107096 0.128922 O\n0.382885 0.607096 0.128922 O\n0.896260 0.339467 0.156725 O\n0.603740 0.839467 0.156725 O\n0.259851 0.382093 0.256200 O\n0.240149 0.882093 0.256200 O\n0.569594 0.346203 0.336177 O\n0.930406 0.846203 0.336177 O\n0.370392 0.119012 0.371671 O\n0.129608 0.619012 0.371671 O\n0.356003 0.628473 0.387067 O\n0.143997 0.128473 0.387067 O\n0.639378 0.041786 0.415258 O\n0.860622 0.541786 0.415258 O\n0.981548 0.307606 0.437440 O\n0.518452 0.807606 0.437440 O\n0.718767 0.781244 0.419376 O\n0.781233 0.281244 0.419376 O\n",
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"formula_full": "Na8 Li8 V12 P8 O52",
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{
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"structure_string": "Li8 Te4 Mo4 O24\n1.0\n13.246263 0.000000 0.000000\n0.000000 5.461342 0.000000\n0.000000 4.903462 7.087049\nLi Te Mo O\n8 4 4 24\ndirect\n0.568889 0.466043 0.734304 Li\n0.931111 0.466043 0.234304 Li\n0.431111 0.533957 0.265696 Li\n0.068889 0.533957 0.765696 Li\n0.353444 0.758526 0.483704 Li\n0.146556 0.758526 0.983704 Li\n0.646556 0.241474 0.516296 Li\n0.853444 0.241474 0.016296 Li\n0.707134 0.685579 0.066303 Te\n0.792866 0.685579 0.566303 Te\n0.292866 0.314421 0.933697 Te\n0.207134 0.314421 0.433697 Te\n0.591236 0.027191 0.253632 Mo\n0.908764 0.027191 0.753632 Mo\n0.408764 0.972809 0.746368 Mo\n0.091236 0.972809 0.246368 Mo\n0.479703 0.804241 0.336837 O\n0.020297 0.804241 0.836837 O\n0.520297 0.195759 0.663163 O\n0.979703 0.195759 0.163163 O\n0.591392 0.188801 0.007434 O\n0.908608 0.188801 0.507434 O\n0.408608 0.811199 0.992566 O\n0.091392 0.811199 0.492566 O\n0.554549 0.337377 0.264027 O\n0.945451 0.337377 0.764027 O\n0.445451 0.662623 0.735973 O\n0.054549 0.662623 0.235973 O\n0.692135 0.693574 0.290209 O\n0.807865 0.693574 0.790209 O\n0.307865 0.306426 0.709791 O\n0.192135 0.306426 0.209791 O\n0.844105 0.833440 0.033175 O\n0.655895 0.833440 0.533175 O\n0.155895 0.166560 0.966825 O\n0.344105 0.166560 0.466825 O\n0.749568 0.283788 0.190662 O\n0.750432 0.283788 0.690662 O\n0.250432 0.716212 0.809338 O\n0.249568 0.716212 0.309338 O\n",
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{
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{
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{
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{
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{
"id": "mp-1204087",
"created_at": "2022-09-04T14:44:08.670250Z",
"structure_string": "K6 Mg36 Sn22\n1.0\n5.956596 -10.317128 0.000000\n5.956596 10.317128 0.000000\n0.000000 0.000000 13.936656\nK Mg Sn\n6 36 22\ndirect\n0.666667 0.333333 0.082686 K\n0.333333 0.666667 0.582686 K\n0.333333 0.666667 0.917314 K\n0.666667 0.333333 0.417314 K\n0.333333 0.666667 0.250000 K\n0.666667 0.333333 0.750000 K\n0.109822 0.854398 0.250000 Mg\n0.145602 0.255424 0.250000 Mg\n0.744576 0.890178 0.250000 Mg\n0.890178 0.145602 0.750000 Mg\n0.854398 0.744576 0.750000 Mg\n0.255424 0.109822 0.750000 Mg\n0.852864 0.730965 0.083640 Mg\n0.269035 0.121899 0.083640 Mg\n0.878101 0.147136 0.083640 Mg\n0.147136 0.269035 0.583640 Mg\n0.730965 0.878101 0.583640 Mg\n0.121899 0.852864 0.583640 Mg\n0.147136 0.269035 0.916360 Mg\n0.730965 0.878101 0.916360 Mg\n0.121899 0.852864 0.916360 Mg\n0.852864 0.730965 0.416360 Mg\n0.269035 0.121899 0.416360 Mg\n0.878101 0.147136 0.416360 Mg\n0.626468 0.567225 0.250000 Mg\n0.432775 0.059244 0.250000 Mg\n0.940756 0.373532 0.250000 Mg\n0.373532 0.432775 0.750000 Mg\n0.567225 0.940756 0.750000 Mg\n0.059244 0.626468 0.750000 Mg\n0.057007 0.622871 0.083666 Mg\n0.377129 0.434135 0.083666 Mg\n0.565865 0.942993 0.083666 Mg\n0.942993 0.377129 0.583666 Mg\n0.622871 0.565865 0.583666 Mg\n0.434135 0.057007 0.583666 Mg\n0.942993 0.377129 0.916334 Mg\n0.622871 0.565865 0.916334 Mg\n0.434135 0.057007 0.916334 Mg\n0.057007 0.622871 0.416334 Mg\n0.377129 0.434135 0.416334 Mg\n0.565865 0.942993 0.416334 Mg\n0.000000 0.000000 0.140167 Sn\n0.000000 0.000000 0.640167 Sn\n0.000000 0.000000 0.859833 Sn\n0.000000 0.000000 0.359833 Sn\n0.295934 0.886681 0.084035 Sn\n0.113319 0.409253 0.084035 Sn\n0.590747 0.704066 0.084035 Sn\n0.704066 0.113319 0.584035 Sn\n0.886681 0.590747 0.584035 Sn\n0.409253 0.295934 0.584035 Sn\n0.704066 0.113319 0.915965 Sn\n0.886681 0.590747 0.915965 Sn\n0.409253 0.295934 0.915965 Sn\n0.295934 0.886681 0.415965 Sn\n0.113319 0.409253 0.415965 Sn\n0.590747 0.704066 0.415965 Sn\n0.885894 0.585275 0.250000 Sn\n0.414725 0.300619 0.250000 Sn\n0.699381 0.114106 0.250000 Sn\n0.114106 0.414725 0.750000 Sn\n0.585275 0.699381 0.750000 Sn\n0.300619 0.885894 0.750000 Sn\n",
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]
}