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{
"id": "mp-17835",
"created_at": "2022-09-04T14:41:54.644870Z",
"structure_string": "Sn8 Sb8 S20\n1.0\n3.968876 0.000000 0.000000\n0.000000 11.524238 0.000000\n0.000000 0.000000 20.601564\nSn Sb S\n8 8 20\ndirect\n0.250000 0.163221 0.200406 Sn\n0.750000 0.836779 0.799594 Sn\n0.750000 0.663221 0.299594 Sn\n0.250000 0.336779 0.700406 Sn\n0.250000 0.496710 0.088734 Sn\n0.750000 0.503290 0.911266 Sn\n0.750000 0.996710 0.411266 Sn\n0.250000 0.003290 0.588734 Sn\n0.250000 0.375639 0.368248 Sb\n0.750000 0.624361 0.631752 Sb\n0.750000 0.875639 0.131752 Sb\n0.250000 0.124361 0.868248 Sb\n0.250000 0.709145 0.470026 Sb\n0.750000 0.290855 0.529974 Sb\n0.750000 0.209145 0.029974 Sb\n0.250000 0.790855 0.970026 Sb\n0.250000 0.424907 0.577915 S\n0.750000 0.575093 0.422085 S\n0.750000 0.924907 0.922085 S\n0.250000 0.075093 0.077915 S\n0.250000 0.369107 0.980467 S\n0.750000 0.630893 0.019533 S\n0.750000 0.869107 0.519533 S\n0.250000 0.130893 0.480467 S\n0.250000 0.746748 0.671720 S\n0.750000 0.253252 0.328280 S\n0.750000 0.246748 0.828280 S\n0.250000 0.753252 0.171720 S\n0.250000 0.824461 0.370599 S\n0.750000 0.175539 0.629401 S\n0.750000 0.324461 0.129401 S\n0.250000 0.675539 0.870599 S\n0.250000 0.503349 0.272876 S\n0.750000 0.496651 0.727124 S\n0.750000 0.003349 0.227124 S\n0.250000 0.996651 0.772876 S\n",
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{
"id": "mp-36733",
"created_at": "2022-09-04T14:41:54.967149Z",
"structure_string": "La4 Cd2 Se8\n1.0\n-4.466314 4.466314 4.701951\n4.466314 -4.466314 4.701951\n4.466314 4.466314 -4.701951\nLa Cd Se\n4 2 8\ndirect\n0.375000 0.986957 0.111957 La\n0.736957 0.625000 0.611957 La\n0.875000 0.263043 0.888043 La\n0.013043 0.125000 0.388043 La\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.005433 0.741169 0.125476 Se\n0.629957 0.865694 0.374524 Se\n0.258831 0.384306 0.264263 Se\n0.615694 0.879957 0.874524 Se\n0.491169 0.255433 0.625476 Se\n0.134306 0.508831 0.764263 Se\n0.744567 0.370043 0.235737 Se\n0.120043 0.994567 0.735737 Se\n",
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"formula_full": "La4 Cd2 Se8",
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},
{
"id": "mp-1192914",
"created_at": "2022-09-04T14:41:54.622173Z",
"structure_string": "Lu8 Pb4 Se16\n1.0\n4.069112 0.000000 0.000000\n0.000000 12.611669 0.000000\n0.000000 0.000000 14.748902\nLu Pb Se\n8 4 16\ndirect\n0.250000 0.439770 0.387642 Lu\n0.250000 0.939770 0.112358 Lu\n0.750000 0.560230 0.612358 Lu\n0.750000 0.060230 0.887642 Lu\n0.250000 0.416732 0.903102 Lu\n0.250000 0.916732 0.596898 Lu\n0.750000 0.583268 0.096898 Lu\n0.750000 0.083268 0.403102 Lu\n0.250000 0.759489 0.333081 Pb\n0.250000 0.259489 0.166919 Pb\n0.750000 0.240511 0.666919 Pb\n0.750000 0.740511 0.833081 Pb\n0.250000 0.205450 0.832052 Se\n0.250000 0.705450 0.667948 Se\n0.750000 0.794550 0.167948 Se\n0.750000 0.294550 0.332052 Se\n0.250000 0.126593 0.530837 Se\n0.250000 0.626593 0.969163 Se\n0.750000 0.873407 0.469163 Se\n0.750000 0.373407 0.030837 Se\n0.250000 0.029208 0.285081 Se\n0.250000 0.529208 0.214919 Se\n0.750000 0.970792 0.714919 Se\n0.750000 0.470792 0.785081 Se\n0.250000 0.410695 0.575554 Se\n0.250000 0.910695 0.924446 Se\n0.750000 0.589305 0.424446 Se\n0.750000 0.089305 0.075554 Se\n",
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{
"id": "mp-1177860",
"created_at": "2022-09-04T14:41:54.629832Z",
"structure_string": "Li8 Si4 Ni4 O16\n1.0\n4.943585 0.000000 0.000000\n0.000000 6.339021 0.000000\n0.000000 0.000000 10.831613\nLi Si Ni O\n8 4 4 16\ndirect\n0.704428 0.871082 0.091300 Li\n0.201285 0.117050 0.168410 Li\n0.701285 0.617050 0.331590 Li\n0.204428 0.371082 0.408700 Li\n0.795572 0.871082 0.591300 Li\n0.298715 0.117050 0.668410 Li\n0.798715 0.617050 0.831590 Li\n0.295572 0.371082 0.908700 Li\n0.191687 0.616825 0.167515 Si\n0.691687 0.116825 0.332485 Si\n0.308313 0.616825 0.667515 Si\n0.808313 0.116825 0.832485 Si\n0.702842 0.367563 0.085042 Ni\n0.202842 0.867563 0.414958 Ni\n0.797158 0.367563 0.585042 Ni\n0.297158 0.867563 0.914958 Ni\n0.302300 0.830544 0.095425 O\n0.296129 0.401175 0.094919 O\n0.857210 0.617799 0.165268 O\n0.797496 0.120063 0.187794 O\n0.297496 0.620063 0.312206 O\n0.357210 0.117799 0.334732 O\n0.796129 0.901175 0.405081 O\n0.802300 0.330544 0.404575 O\n0.197700 0.830544 0.595425 O\n0.203871 0.401175 0.594919 O\n0.642790 0.617799 0.665268 O\n0.702504 0.120063 0.687794 O\n0.202504 0.620063 0.812206 O\n0.142790 0.117799 0.834732 O\n0.703871 0.901175 0.905081 O\n0.697700 0.330544 0.904575 O\n",
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"volume": 339.4355546509537,
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"formula_full": "Li8 Si4 Ni4 O16",
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"spacegroup": 33
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{
"id": "mp-1093932",
"created_at": "2022-09-04T14:41:54.631973Z",
"structure_string": "Hf2 Co1 Ni1\n1.0\n-4.523150 5.162624 7.318491\n4.523150 -5.162624 7.318491\n4.523150 5.162624 -7.318491\nHf Co Ni\n2 1 1\ndirect\n0.000000 0.241376 0.241376 Hf\n0.000000 0.758624 0.758624 Hf\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ni\n",
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"updated_at": "2021-11-28T01:35:32.397000Z",
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{
"id": "mp-1206318",
"created_at": "2022-09-04T14:41:54.633012Z",
"structure_string": "Nd3 Sn7\n1.0\n2.258832 -13.362574 0.000000\n2.258832 13.362574 0.000000\n0.000000 0.000000 4.587862\nNd Sn\n3 7\ndirect\n0.815378 0.184622 0.000000 Nd\n0.184622 0.815378 0.000000 Nd\n0.000000 0.000000 0.000000 Nd\n0.903717 0.096283 0.500000 Sn\n0.096283 0.903717 0.500000 Sn\n0.711915 0.288085 0.500000 Sn\n0.288085 0.711915 0.500000 Sn\n0.594778 0.405222 0.000000 Sn\n0.405222 0.594778 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n",
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{
"id": "mp-1194620",
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"structure_string": "Y2 Fe12 Ge12\n1.0\n0.000000 0.000000 5.111643\n8.123405 0.000000 0.000000\n-4.061703 8.819732 0.000000\nY Fe Ge\n2 12 12\ndirect\n0.250000 0.126752 0.253504 Y\n0.750000 0.873248 0.746496 Y\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.749835 0.000000 Fe\n0.000000 0.749835 0.000000 Fe\n0.500000 0.250165 0.000000 Fe\n0.000000 0.250165 0.000000 Fe\n0.750000 0.874538 0.250145 Fe\n0.250000 0.624393 0.749855 Fe\n0.250000 0.125462 0.749855 Fe\n0.750000 0.375607 0.250145 Fe\n0.750000 0.042162 0.084324 Ge\n0.250000 0.957838 0.915676 Ge\n0.750000 0.541071 0.082142 Ge\n0.250000 0.458929 0.917858 Ge\n0.750000 0.211008 0.422016 Ge\n0.250000 0.788992 0.577984 Ge\n0.750000 0.705138 0.410277 Ge\n0.250000 0.294862 0.589723 Ge\n0.250000 0.777875 0.248887 Ge\n0.750000 0.528989 0.751113 Ge\n0.750000 0.222125 0.751113 Ge\n0.250000 0.471011 0.248887 Ge\n",
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{
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"structure_string": "Na4 S4 O16\n1.0\n6.864210 0.000000 0.000000\n0.210710 7.039352 0.000000\n0.887482 1.461601 6.847019\nNa S O\n4 4 16\ndirect\n0.451401 0.314787 0.727177 Na\n0.548599 0.685213 0.272823 Na\n0.852653 0.183283 0.324551 Na\n0.147347 0.816717 0.675449 Na\n0.383095 0.206331 0.273834 S\n0.616905 0.793669 0.726166 S\n0.957984 0.296974 0.786400 S\n0.042016 0.703026 0.213600 S\n0.353399 0.302847 0.070055 O\n0.646601 0.697153 0.929945 O\n0.485188 0.337539 0.368376 O\n0.514812 0.662461 0.631624 O\n0.192930 0.142890 0.388730 O\n0.807070 0.857110 0.611270 O\n0.514389 0.036216 0.255009 O\n0.485611 0.963784 0.744991 O\n0.849249 0.319233 0.975521 O\n0.150751 0.680767 0.024479 O\n0.105779 0.454185 0.715606 O\n0.894221 0.545815 0.284394 O\n0.062994 0.107812 0.817223 O\n0.937006 0.892188 0.182777 O\n0.816837 0.305599 0.641709 O\n0.183163 0.694401 0.358291 O\n",
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{
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"structure_string": "Pr14 S12 Cl18\n1.0\n6.775430 0.000000 0.000000\n0.000000 7.068768 0.000000\n0.000000 3.337893 24.459349\nPr S Cl\n14 12 18\ndirect\n0.695025 0.376095 0.356676 Pr\n0.304975 0.623905 0.643324 Pr\n0.695025 0.123905 0.643324 Pr\n0.304975 0.876095 0.356676 Pr\n0.716502 0.507645 0.078479 Pr\n0.283498 0.492355 0.921521 Pr\n0.716502 0.992355 0.921521 Pr\n0.283498 0.007645 0.078479 Pr\n0.696157 0.863525 0.215386 Pr\n0.303843 0.136475 0.784614 Pr\n0.696157 0.636475 0.784614 Pr\n0.303843 0.363525 0.215386 Pr\n0.711848 0.750000 0.500000 Pr\n0.288152 0.250000 0.500000 Pr\n0.464378 0.926162 0.572004 S\n0.535622 0.073838 0.427996 S\n0.464378 0.573838 0.427996 S\n0.535622 0.426162 0.572004 S\n0.448047 0.617847 0.282003 S\n0.551953 0.382153 0.717997 S\n0.448047 0.882153 0.717997 S\n0.551953 0.117847 0.282003 S\n0.446404 0.688571 0.139368 S\n0.553596 0.311429 0.860632 S\n0.446404 0.811429 0.860632 S\n0.553596 0.188571 0.139368 S\n0.929049 0.733820 0.311889 Cl\n0.070951 0.266180 0.688111 Cl\n0.929049 0.766180 0.688111 Cl\n0.070951 0.233820 0.311889 Cl\n0.952006 0.439501 0.441034 Cl\n0.047994 0.560499 0.558966 Cl\n0.952006 0.060499 0.558966 Cl\n0.047994 0.939501 0.441034 Cl\n0.444396 0.750000 0.000000 Cl\n0.555604 0.250000 0.000000 Cl\n0.894703 0.876766 0.058487 Cl\n0.105297 0.123234 0.941513 Cl\n0.894703 0.623234 0.941513 Cl\n0.105297 0.376766 0.058487 Cl\n0.912006 0.529013 0.181328 Cl\n0.087994 0.470987 0.818672 Cl\n0.912006 0.970987 0.818672 Cl\n0.087994 0.029013 0.181328 Cl\n",
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{
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"structure_string": "La2 Ag2 Sb4\n1.0\n4.440175 0.000000 0.000000\n0.000000 4.440175 0.000000\n0.000000 0.000000 10.953209\nLa Ag Sb\n2 2 4\ndirect\n0.000000 0.500000 0.260459 La\n0.500000 0.000000 0.739541 La\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.828475 Sb\n0.500000 0.000000 0.171525 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n",
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