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{
"id": "mp-1044058",
"created_at": "2022-09-04T14:41:03.256900Z",
"structure_string": "La2 Zn2 Fe2 Bi2 O12\n1.0\n6.222247 0.000000 0.000000\n0.000000 5.562696 0.000000\n0.000000 5.440975 8.008838\nLa Zn Fe Bi O\n2 2 2 2 12\ndirect\n0.167092 0.722113 0.249857 La\n0.832908 0.722113 0.749857 La\n0.870954 0.240170 0.236315 Zn\n0.129046 0.240170 0.736315 Zn\n0.726898 0.980421 0.006601 Fe\n0.273102 0.980421 0.506601 Fe\n0.694732 0.497496 0.492304 Bi\n0.305268 0.497496 0.992304 Bi\n0.207330 0.898897 0.736990 O\n0.073590 0.245914 0.938131 O\n0.060657 0.652123 0.557051 O\n0.939343 0.652123 0.057051 O\n0.926410 0.245914 0.438131 O\n0.792670 0.898897 0.236990 O\n0.768430 0.140626 0.761861 O\n0.539269 0.769374 0.565821 O\n0.606672 0.352865 0.955068 O\n0.393328 0.352865 0.455068 O\n0.460731 0.769374 0.065821 O\n0.231570 0.140626 0.261861 O\n",
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{
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"structure_string": "La4 Pr4 O14\n1.0\n0.000000 5.740113 5.740113\n5.740113 0.000000 5.740113\n5.740113 5.740113 0.000000\nLa Pr O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 La\n0.625000 0.125000 0.125000 La\n0.125000 0.625000 0.125000 La\n0.125000 0.125000 0.625000 La\n0.625000 0.625000 0.125000 Pr\n0.625000 0.125000 0.625000 Pr\n0.125000 0.625000 0.625000 Pr\n0.625000 0.625000 0.625000 Pr\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.730299 0.269701 0.269701 O\n0.730299 0.730299 0.269701 O\n0.730299 0.269701 0.730299 O\n0.269701 0.730299 0.269701 O\n0.269701 0.269701 0.730299 O\n0.980299 0.519701 0.519701 O\n0.269701 0.730299 0.730299 O\n0.519701 0.980299 0.519701 O\n0.519701 0.519701 0.980299 O\n0.980299 0.519701 0.980299 O\n0.980299 0.980299 0.519701 O\n0.519701 0.980299 0.980299 O\n",
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{
"id": "mp-1179331",
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"structure_string": "U4 Cr4 O36\n1.0\n9.695389 0.000000 -0.217704\n0.000000 7.301272 0.000000\n0.229925 0.000000 11.943821\nU Cr O\n4 4 36\ndirect\n0.342320 0.192424 0.873391 U\n0.657680 0.692424 0.126609 U\n0.073175 0.183514 0.304780 U\n0.926825 0.683514 0.695220 U\n0.445122 0.689020 0.856606 Cr\n0.554878 0.189020 0.143394 Cr\n0.114634 0.701736 0.414017 Cr\n0.885366 0.201736 0.585983 Cr\n0.043522 0.893139 0.354295 O\n0.956478 0.393139 0.645705 O\n0.160089 0.190449 0.900760 O\n0.839911 0.690449 0.099240 O\n0.208083 0.203715 0.411353 O\n0.791917 0.703715 0.588647 O\n0.051286 0.517556 0.350743 O\n0.948714 0.017556 0.649257 O\n0.345643 0.501618 0.880900 O\n0.654357 0.001618 0.119100 O\n0.518804 0.193216 0.827389 O\n0.481196 0.693216 0.172611 O\n0.580145 0.691645 0.946761 O\n0.419855 0.191645 0.053239 O\n0.349993 0.882619 0.872264 O\n0.650007 0.382619 0.127736 O\n0.501463 0.680964 0.731358 O\n0.498537 0.180964 0.268642 O\n0.930783 0.220374 0.206034 O\n0.069217 0.720374 0.793966 O\n0.080919 0.703684 0.554352 O\n0.919081 0.203684 0.445648 O\n0.278294 0.710700 0.398167 O\n0.721706 0.210700 0.601833 O\n0.176468 0.094245 0.180849 O\n0.823532 0.594245 0.819151 O\n0.189320 0.471528 0.143677 O\n0.810681 0.971528 0.856323 O\n0.315464 0.206186 0.656414 O\n0.684536 0.706186 0.343586 O\n0.361810 0.047728 0.615285 O\n0.638190 0.547728 0.384715 O\n0.129413 0.600421 0.100170 O\n0.870587 0.100421 0.899830 O\n0.421950 0.053349 0.522836 O\n0.578050 0.553349 0.477164 O\n",
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"formula_full": "U4 Cr4 O36",
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{
"id": "mp-26643",
"created_at": "2022-09-04T14:41:01.479893Z",
"structure_string": "Li4 Fe4 P8 O28\n1.0\n5.063899 0.000000 0.000000\n0.000000 8.454826 0.000000\n0.000000 2.403639 12.006373\nLi Fe P O\n4 4 8 28\ndirect\n0.726288 0.121956 0.295443 Li\n0.273712 0.878044 0.704557 Li\n0.773712 0.621956 0.795443 Li\n0.226288 0.378044 0.204557 Li\n0.237742 0.763822 0.972746 Fe\n0.737742 0.736178 0.527254 Fe\n0.262258 0.263822 0.472746 Fe\n0.762258 0.236178 0.027254 Fe\n0.733110 0.580845 0.115819 P\n0.266890 0.419155 0.884181 P\n0.255423 0.528642 0.646033 P\n0.233110 0.919155 0.384181 P\n0.244577 0.028642 0.146033 P\n0.766890 0.080845 0.615819 P\n0.755423 0.971358 0.853967 P\n0.744577 0.471358 0.353967 P\n0.790574 0.606263 0.241726 O\n0.657261 0.910628 0.616962 O\n0.547947 0.835425 0.856767 O\n0.034526 0.905729 0.840716 O\n0.965474 0.094271 0.159284 O\n0.452053 0.164575 0.143233 O\n0.342739 0.089372 0.383038 O\n0.065891 0.092828 0.592476 O\n0.709426 0.106263 0.741726 O\n0.611582 0.214905 0.543703 O\n0.719411 0.063642 0.947033 O\n0.842739 0.410628 0.116962 O\n0.952053 0.335425 0.356767 O\n0.465474 0.405729 0.340716 O\n0.219411 0.436358 0.552967 O\n0.290574 0.893737 0.258274 O\n0.111582 0.285095 0.956297 O\n0.209426 0.393737 0.758274 O\n0.434109 0.592828 0.092476 O\n0.888418 0.714905 0.043703 O\n0.565891 0.407172 0.907524 O\n0.780589 0.563642 0.447033 O\n0.534526 0.594271 0.659284 O\n0.047947 0.664575 0.643233 O\n0.157261 0.589372 0.883038 O\n0.280589 0.936358 0.052967 O\n0.388418 0.785095 0.456297 O\n0.934109 0.907172 0.407524 O\n",
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"density_atomic": 0.0855955399342681,
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"formula_full": "Li4 Fe4 P8 O28",
"formula_reduced": "LiFeP2O7",
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{
"id": "mp-561778",
"created_at": "2022-09-04T14:41:01.528602Z",
"structure_string": "Cs4 Li4 Cr4 O16\n1.0\n9.139018 0.000000 0.000000\n0.000000 5.729784 0.000000\n0.000000 5.621368 9.911578\nCs Li Cr O\n4 4 4 16\ndirect\n0.997755 0.452736 0.780278 Cs\n0.502245 0.452736 0.280279 Cs\n0.002245 0.547264 0.219722 Cs\n0.497755 0.547264 0.719722 Cs\n0.312923 0.848873 0.912876 Li\n0.687077 0.151127 0.087124 Li\n0.812923 0.151127 0.587124 Li\n0.187077 0.848873 0.412876 Li\n0.290511 0.187443 0.074143 Cr\n0.709489 0.812557 0.925857 Cr\n0.209489 0.187443 0.574143 Cr\n0.790511 0.812557 0.425857 Cr\n0.769630 0.879295 0.774263 O\n0.765412 0.506093 0.041139 O\n0.471726 0.175976 0.075410 O\n0.734588 0.506093 0.541139 O\n0.269630 0.120705 0.725737 O\n0.971726 0.824024 0.424590 O\n0.230370 0.120705 0.225737 O\n0.028274 0.175976 0.575410 O\n0.223703 0.963984 0.034333 O\n0.234588 0.493907 0.958861 O\n0.730370 0.879295 0.274263 O\n0.265412 0.493907 0.458861 O\n0.723703 0.036016 0.465667 O\n0.528274 0.824024 0.924590 O\n0.776297 0.036016 0.965667 O\n0.276297 0.963984 0.534333 O\n",
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"formula_full": "Cs4 Li4 Cr4 O16",
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{
"id": "mp-1197740",
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"structure_string": "Ce8 Si4 S20\n1.0\n7.622571 0.000000 0.000000\n0.000000 8.560379 0.000000\n0.000000 0.369501 11.253858\nCe Si S\n8 4 20\ndirect\n0.452554 0.486175 0.319808 Ce\n0.952554 0.513825 0.180192 Ce\n0.547446 0.513825 0.680192 Ce\n0.047446 0.486175 0.819808 Ce\n0.593223 0.249819 0.997360 Ce\n0.093223 0.750181 0.502640 Ce\n0.406777 0.750181 0.002640 Ce\n0.906777 0.249819 0.497360 Ce\n0.916703 0.900416 0.837507 Si\n0.416703 0.099584 0.662493 Si\n0.083297 0.099584 0.162493 Si\n0.583297 0.900416 0.337507 Si\n0.327913 0.456272 0.080353 S\n0.827913 0.543728 0.419647 S\n0.672087 0.543728 0.919647 S\n0.172087 0.456272 0.580353 S\n0.154422 0.042211 0.594642 S\n0.654422 0.957789 0.905358 S\n0.845578 0.957789 0.405358 S\n0.345578 0.042211 0.094642 S\n0.354992 0.272449 0.804035 S\n0.854992 0.727551 0.695965 S\n0.645008 0.727551 0.195965 S\n0.145008 0.272449 0.304035 S\n0.971779 0.263247 0.017867 S\n0.471779 0.736753 0.482133 S\n0.028221 0.736753 0.982133 S\n0.528221 0.263247 0.517867 S\n0.690628 0.286316 0.231003 S\n0.190628 0.713684 0.268997 S\n0.309372 0.713684 0.768997 S\n0.809372 0.286316 0.731003 S\n",
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"formula_full": "Ce8 Si4 S20",
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{
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"created_at": "2022-09-04T14:41:01.746536Z",
"structure_string": "Mg1 Al2 As2 H18 O18\n1.0\n5.457212 0.000000 0.000000\n-2.391674 6.617668 0.000000\n-2.139331 -2.302859 10.066713\nMg Al As H O\n1 2 2 18 18\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.482846 0.073853 0.833630 As\n0.517154 0.926147 0.166370 As\n0.904770 0.311088 0.170414 H\n0.095230 0.688912 0.829586 H\n0.022000 0.004883 0.622394 H\n0.978000 0.995117 0.377606 H\n0.834708 0.505675 0.220371 H\n0.165292 0.494325 0.779629 H\n0.558691 0.589454 0.761833 H\n0.441309 0.410546 0.238167 H\n0.689160 0.399523 0.452757 H\n0.310840 0.600477 0.547243 H\n0.804636 0.407601 0.604677 H\n0.195364 0.592399 0.395323 H\n0.410245 0.352121 0.685509 H\n0.589755 0.647879 0.314491 H\n0.804880 0.944885 0.704766 H\n0.195120 0.055115 0.295234 H\n0.681814 0.671384 0.008351 H\n0.318186 0.328616 0.991649 H\n0.871487 0.716224 0.005196 O\n0.128513 0.283776 0.994804 O\n0.693606 0.938044 0.847408 O\n0.306394 0.061956 0.152592 O\n0.628405 0.317055 0.936068 O\n0.371595 0.682945 0.063932 O\n0.194178 0.936030 0.875891 O\n0.805822 0.063970 0.124109 O\n0.388715 0.093178 0.671823 O\n0.611285 0.906822 0.328177 O\n0.972610 0.468313 0.183146 O\n0.027390 0.531687 0.816854 O\n0.394277 0.490764 0.696294 O\n0.605723 0.509236 0.303706 O\n0.825705 0.959020 0.614425 O\n0.174295 0.040980 0.385575 O\n0.735081 0.317234 0.515660 O\n0.264919 0.682766 0.484340 O\n",
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{
"id": "mp-1194306",
"created_at": "2022-09-04T14:41:01.748246Z",
"structure_string": "Fe4 Se4 O20\n1.0\n-6.111864 0.000000 0.799515\n-0.194511 0.000000 -7.390064\n0.000000 -8.662240 0.000000\nFe Se O\n4 4 20\ndirect\n0.858960 0.033766 0.653463 Fe\n0.358960 0.533766 0.846537 Fe\n0.141040 0.966234 0.346537 Fe\n0.641040 0.466234 0.153463 Fe\n0.584850 0.806854 0.377511 Se\n0.084850 0.306854 0.122489 Se\n0.415150 0.193146 0.622489 Se\n0.915150 0.693146 0.877511 Se\n0.827126 0.959490 0.422656 O\n0.327126 0.459490 0.077344 O\n0.172874 0.040510 0.577344 O\n0.672874 0.540510 0.922656 O\n0.450720 0.002085 0.332613 O\n0.950720 0.502085 0.167387 O\n0.549280 0.997915 0.667387 O\n0.049280 0.497915 0.832613 O\n0.641855 0.732935 0.197647 O\n0.141855 0.232935 0.302353 O\n0.358145 0.267065 0.802353 O\n0.858145 0.767065 0.697647 O\n0.909160 0.095220 0.839163 O\n0.409160 0.595220 0.660837 O\n0.090840 0.904780 0.160837 O\n0.590840 0.404780 0.339163 O\n0.845042 0.262915 0.621014 O\n0.345042 0.762915 0.878986 O\n0.154958 0.737085 0.378986 O\n0.654958 0.237085 0.121014 O\n",
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