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{
"id": "mp-17308",
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"structure_string": "Tb8 Si8 O28\n1.0\n6.686140 0.000000 0.000000\n-0.217726 6.715782 0.000000\n-0.256263 -0.910011 12.148837\nTb Si O\n8 8 28\ndirect\n0.672411 0.173792 0.891546 Tb\n0.327589 0.826208 0.108454 Tb\n0.366786 0.222121 0.633263 Tb\n0.633214 0.777879 0.366737 Tb\n0.881769 0.911462 0.642701 Tb\n0.118231 0.088538 0.357299 Tb\n0.948319 0.673215 0.884687 Tb\n0.051681 0.326785 0.115313 Tb\n0.146116 0.624945 0.379940 Si\n0.853884 0.375055 0.620060 Si\n0.376367 0.727303 0.594356 Si\n0.623633 0.272697 0.405644 Si\n0.487505 0.667400 0.824741 Si\n0.512495 0.332600 0.175259 Si\n0.154150 0.149201 0.884576 Si\n0.845850 0.850799 0.115424 Si\n0.000695 0.987477 0.814942 O\n0.999305 0.012523 0.185058 O\n0.999734 0.333396 0.918355 O\n0.000266 0.666604 0.081645 O\n0.346948 0.210399 0.814376 O\n0.653052 0.789601 0.185624 O\n0.230388 0.084889 0.004196 O\n0.769612 0.915111 0.995804 O\n0.077409 0.416003 0.312002 O\n0.922591 0.583997 0.687998 O\n0.964254 0.770289 0.421258 O\n0.035746 0.229711 0.578742 O\n0.290220 0.779961 0.313241 O\n0.709780 0.220039 0.686759 O\n0.285223 0.574887 0.490193 O\n0.714777 0.425113 0.509807 O\n0.356522 0.487940 0.126778 O\n0.643478 0.512060 0.873222 O\n0.380866 0.137088 0.210652 O\n0.619134 0.862912 0.789348 O\n0.699389 0.292381 0.094384 O\n0.300611 0.707619 0.905616 O\n0.600648 0.427803 0.305109 O\n0.399352 0.572197 0.694891 O\n0.414615 0.173933 0.446965 O\n0.585385 0.826067 0.553035 O\n0.773430 0.093698 0.377900 O\n0.226570 0.906302 0.622100 O\n",
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{
"id": "mp-560839",
"created_at": "2022-09-04T14:46:34.080868Z",
"structure_string": "C16 Se4 O8\n1.0\n4.460586 0.000000 0.000000\n0.000000 9.128106 0.000000\n0.000000 0.000000 11.708576\nC Se O\n16 4 8\ndirect\n0.916566 0.064009 0.882211 C\n0.583434 0.564009 0.617789 C\n0.416566 0.435991 0.617789 C\n0.905874 0.071588 0.245960 C\n0.594126 0.571588 0.254040 C\n0.583434 0.564009 0.382211 C\n0.405874 0.428412 0.745960 C\n0.094126 0.928412 0.754040 C\n0.083434 0.935991 0.117789 C\n0.916566 0.064009 0.117789 C\n0.405874 0.428412 0.254040 C\n0.905874 0.071588 0.754040 C\n0.594126 0.571588 0.745960 C\n0.083434 0.935991 0.882211 C\n0.416566 0.435991 0.382211 C\n0.094126 0.928412 0.245960 C\n0.237432 0.817272 0.000000 Se\n0.762568 0.182728 0.000000 Se\n0.262568 0.317272 0.500000 Se\n0.737432 0.682728 0.500000 Se\n0.702755 0.652161 0.817322 O\n0.797245 0.152161 0.317322 O\n0.297245 0.347839 0.182678 O\n0.702755 0.652161 0.182678 O\n0.202755 0.847839 0.682678 O\n0.202755 0.847839 0.317322 O\n0.797245 0.152161 0.682678 O\n0.297245 0.347839 0.817322 O\n",
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"elements": [
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],
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"formula_full": "C16 Se4 O8",
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"spacegroup": 58
},
{
"id": "mp-1200581",
"created_at": "2022-09-04T14:46:34.205223Z",
"structure_string": "Bi16 B24 H8 O64\n1.0\n6.106018 0.000000 0.000000\n0.000000 11.554935 0.000000\n0.000000 0.000000 19.591901\nBi B H O\n16 24 8 64\ndirect\n0.709008 0.846352 0.321691 Bi\n0.209008 0.653648 0.678309 Bi\n0.290992 0.346352 0.178309 Bi\n0.790992 0.153648 0.821691 Bi\n0.290992 0.153648 0.678309 Bi\n0.790992 0.346352 0.321691 Bi\n0.709008 0.653648 0.821691 Bi\n0.209008 0.846352 0.178309 Bi\n0.299012 0.094854 0.305941 Bi\n0.799012 0.405146 0.694059 Bi\n0.700988 0.594854 0.194059 Bi\n0.200988 0.905146 0.805941 Bi\n0.700988 0.905146 0.694059 Bi\n0.200988 0.594854 0.305941 Bi\n0.299012 0.405146 0.805941 Bi\n0.799012 0.094854 0.194059 Bi\n0.356733 0.848704 0.437262 B\n0.856733 0.651296 0.562738 B\n0.643267 0.348704 0.062738 B\n0.143267 0.151296 0.937262 B\n0.643267 0.151296 0.562738 B\n0.143267 0.348704 0.437262 B\n0.356733 0.651296 0.937262 B\n0.856733 0.848704 0.062738 B\n0.768254 0.077426 0.448638 B\n0.268254 0.422574 0.551362 B\n0.231746 0.577426 0.051362 B\n0.731746 0.922574 0.948638 B\n0.231746 0.922574 0.551362 B\n0.731746 0.577426 0.448638 B\n0.768254 0.422574 0.948638 B\n0.268254 0.077426 0.051362 B\n0.455547 0.204816 0.454291 B\n0.955547 0.295184 0.545709 B\n0.544453 0.704816 0.045709 B\n0.044453 0.795184 0.954291 B\n0.544453 0.795184 0.545709 B\n0.044453 0.704816 0.454291 B\n0.455547 0.295184 0.954291 B\n0.955547 0.204816 0.045709 B\n0.037256 0.983369 0.437620 H\n0.537256 0.516631 0.562380 H\n0.962744 0.483369 0.062380 H\n0.462744 0.016631 0.937620 H\n0.962744 0.016631 0.562380 H\n0.462744 0.483369 0.437620 H\n0.037256 0.516631 0.937620 H\n0.537256 0.983369 0.062380 H\n0.433406 0.908335 0.377401 O\n0.933406 0.591665 0.622599 O\n0.566594 0.408335 0.122599 O\n0.066594 0.091665 0.877401 O\n0.566594 0.091665 0.622599 O\n0.066594 0.408335 0.377401 O\n0.433406 0.591665 0.877401 O\n0.933406 0.908335 0.122599 O\n0.302994 0.258492 0.414891 O\n0.802994 0.241508 0.585109 O\n0.697006 0.758492 0.085109 O\n0.197006 0.741508 0.914891 O\n0.697006 0.741508 0.585109 O\n0.197006 0.758492 0.414891 O\n0.302994 0.241508 0.914891 O\n0.802994 0.258492 0.085109 O\n0.585307 0.984585 0.257393 O\n0.085307 0.515415 0.742607 O\n0.414693 0.484585 0.242607 O\n0.914693 0.015415 0.757393 O\n0.414693 0.015415 0.742607 O\n0.914693 0.484585 0.257393 O\n0.585307 0.515415 0.757393 O\n0.085307 0.984585 0.242607 O\n0.613285 0.144869 0.415106 O\n0.113285 0.355131 0.584894 O\n0.386715 0.644869 0.084894 O\n0.886715 0.855131 0.915106 O\n0.386715 0.855131 0.584894 O\n0.886715 0.644869 0.415106 O\n0.613285 0.355131 0.915106 O\n0.113285 0.144869 0.084894 O\n0.918353 0.019545 0.408716 O\n0.418353 0.480455 0.591284 O\n0.081647 0.519545 0.091284 O\n0.581647 0.980455 0.908716 O\n0.081647 0.980455 0.591284 O\n0.581647 0.519545 0.408716 O\n0.918353 0.480455 0.908716 O\n0.418353 0.019545 0.091284 O\n0.537439 0.793928 0.476327 O\n0.037439 0.706072 0.523673 O\n0.462561 0.293928 0.023673 O\n0.962561 0.206072 0.976327 O\n0.462561 0.206072 0.523673 O\n0.962561 0.293928 0.476327 O\n0.537439 0.706072 0.976327 O\n0.037439 0.793928 0.023673 O\n0.522972 0.711342 0.267825 O\n0.022972 0.788658 0.732175 O\n0.477028 0.211342 0.232175 O\n0.977028 0.288658 0.767825 O\n0.477028 0.288658 0.732175 O\n0.977028 0.211342 0.267825 O\n0.522972 0.788658 0.767825 O\n0.022972 0.711342 0.232175 O\n0.235587 0.933182 0.481824 O\n0.735587 0.566818 0.518176 O\n0.764413 0.433182 0.018176 O\n0.264413 0.066818 0.981824 O\n0.764413 0.066818 0.518176 O\n0.264413 0.433182 0.481824 O\n0.235587 0.566818 0.981824 O\n0.735587 0.933182 0.018176 O\n",
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],
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"formula_full": "Bi16 B24 H8 O64",
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"spacegroup": 61
},
{
"id": "mp-1188734",
"created_at": "2022-09-04T14:46:34.240884Z",
"structure_string": "Pr2 Fe8 B8\n1.0\n7.093540 0.000000 0.000000\n0.000000 7.093540 0.000000\n0.000000 0.000000 3.807083\nPr Fe B\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.132881 0.388582 0.893837 Fe\n0.867119 0.611418 0.893837 Fe\n0.888582 0.367119 0.393837 Fe\n0.111418 0.632881 0.393837 Fe\n0.367119 0.111418 0.606163 Fe\n0.632881 0.888582 0.606163 Fe\n0.611418 0.132881 0.106163 Fe\n0.388582 0.867119 0.106163 Fe\n0.665006 0.796589 0.105183 B\n0.334994 0.203411 0.105183 B\n0.296589 0.834994 0.605183 B\n0.703411 0.165006 0.605183 B\n0.834994 0.703411 0.394817 B\n0.165006 0.296589 0.394817 B\n0.203411 0.665006 0.894817 B\n0.796589 0.334994 0.894817 B\n",
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{
"id": "mp-555830",
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"structure_string": "Mg6 Mn6 B4 O20\n1.0\n6.088703 0.000000 0.000000\n0.000000 5.508224 0.000000\n0.000000 1.179082 10.883594\nMg Mn B O\n6 6 4 20\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.794802 0.774121 Mg\n0.750000 0.205198 0.225879 Mg\n0.500000 0.000000 0.000000 Mg\n0.250000 0.503627 0.500613 Mg\n0.750000 0.496373 0.499387 Mg\n0.750000 0.797127 0.771641 Mn\n0.250000 0.202873 0.228359 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.003958 0.301856 0.736128 B\n0.996042 0.698144 0.263872 B\n0.503958 0.698144 0.263872 B\n0.496042 0.301856 0.736128 B\n0.250000 0.178956 0.412095 O\n0.506569 0.488361 0.202640 O\n0.493726 0.069778 0.802401 O\n0.006569 0.511639 0.797360 O\n0.750000 0.749755 0.967235 O\n0.250000 0.749446 0.971641 O\n0.999754 0.673027 0.390952 O\n0.000246 0.326973 0.609048 O\n0.006274 0.069778 0.802401 O\n0.750000 0.173634 0.411997 O\n0.250000 0.250245 0.032765 O\n0.993431 0.488361 0.202640 O\n0.499754 0.326973 0.609048 O\n0.500246 0.673027 0.390952 O\n0.750000 0.250554 0.028359 O\n0.250000 0.826366 0.588003 O\n0.993726 0.930222 0.197599 O\n0.506274 0.930222 0.197599 O\n0.750000 0.821044 0.587905 O\n0.493431 0.511639 0.797360 O\n",
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{
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"created_at": "2022-09-04T14:46:34.307052Z",
"structure_string": "Pu4 Ni4 Sn2\n1.0\n7.115634 0.000000 0.000000\n0.000000 7.115634 0.000000\n0.000000 0.000000 3.902533\nPu Ni Sn\n4 4 2\ndirect\n0.174747 0.325253 0.500000 Pu\n0.674747 0.174747 0.500000 Pu\n0.825253 0.674747 0.500000 Pu\n0.325253 0.825253 0.500000 Pu\n0.123253 0.623253 0.000000 Ni\n0.623253 0.876747 0.000000 Ni\n0.376747 0.123253 0.000000 Ni\n0.876747 0.376747 0.000000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n",
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{
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"structure_string": "Mn4 Sb2\n1.0\n2.263753 -3.920936 0.000000\n2.263753 3.920936 0.000000\n0.000000 0.000000 5.491964\nMn Sb\n4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.750000 Mn\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
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{
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