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{
"id": "mp-770885",
"created_at": "2022-09-04T14:46:59.740298Z",
"structure_string": "Li12 Fe4 O12\n1.0\n11.276197 0.000000 0.000000\n0.000000 5.415262 0.000000\n0.000000 2.992994 4.879278\nLi Fe O\n12 4 12\ndirect\n0.239749 0.453538 0.710861 Li\n0.494414 0.506139 0.764511 Li\n0.994414 0.493861 0.735489 Li\n0.739749 0.546462 0.789139 Li\n0.623739 0.919386 0.338813 Li\n0.123739 0.080614 0.161187 Li\n0.876261 0.919386 0.838813 Li\n0.376261 0.080614 0.661187 Li\n0.260251 0.453538 0.210861 Li\n0.005586 0.506139 0.264511 Li\n0.505586 0.493861 0.235489 Li\n0.760251 0.546462 0.289139 Li\n0.360469 0.930662 0.234744 Fe\n0.860469 0.069338 0.265256 Fe\n0.139531 0.930662 0.734744 Fe\n0.639531 0.069338 0.765256 Fe\n0.368916 0.521424 0.450985 O\n0.988885 0.822178 0.345017 O\n0.749145 0.974597 0.061614 O\n0.131084 0.521424 0.950985 O\n0.249145 0.025403 0.438386 O\n0.511115 0.822178 0.845017 O\n0.488885 0.177822 0.154983 O\n0.750855 0.974597 0.561614 O\n0.868916 0.478576 0.049015 O\n0.250855 0.025403 0.938386 O\n0.011115 0.177822 0.654983 O\n0.631084 0.478576 0.549015 O\n",
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"formula_full": "Li12 Fe4 O12",
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{
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"structure_string": "Sr9 Zn4 Cu2 O14\n1.0\n1.824288 11.192311 0.000000\n-1.824288 11.192311 0.000000\n0.000000 1.708470 11.304121\nSr Zn Cu O\n9 4 2 14\ndirect\n0.693550 0.693550 0.429801 Sr\n0.687249 0.687249 0.102205 Sr\n0.686471 0.686471 0.774853 Sr\n0.313529 0.313529 0.225147 Sr\n0.509467 0.509467 0.192423 Sr\n0.500000 0.500000 0.500000 Sr\n0.306450 0.306450 0.570199 Sr\n0.490533 0.490533 0.807577 Sr\n0.312751 0.312751 0.897795 Sr\n0.889663 0.889663 0.702684 Zn\n0.897468 0.897468 0.038982 Zn\n0.102532 0.102532 0.961018 Zn\n0.110337 0.110337 0.297316 Zn\n0.106472 0.106472 0.624047 Cu\n0.893528 0.893528 0.375953 Cu\n0.203033 0.203033 0.268896 O\n0.802828 0.802828 0.070082 O\n0.975158 0.975158 0.350272 O\n0.088032 0.088032 0.135538 O\n0.809543 0.809543 0.401486 O\n0.593770 0.593770 0.359355 O\n0.197172 0.197172 0.929918 O\n0.796967 0.796967 0.731104 O\n0.418995 0.418995 0.094031 O\n0.190457 0.190457 0.598514 O\n0.024842 0.024842 0.649728 O\n0.581005 0.581005 0.905969 O\n0.911968 0.911968 0.864462 O\n0.406230 0.406230 0.640645 O\n",
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"formula_full": "Sr9 Zn4 Cu2 O14",
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"spacegroup": 12
},
{
"id": "mp-1217761",
"created_at": "2022-09-04T14:46:59.790214Z",
"structure_string": "Sr1 Sm1 Co1 O4\n1.0\n-1.903602 1.903602 6.227006\n1.903602 -1.903602 6.227006\n1.903602 1.903602 -6.227006\nSr Sm Co O\n1 1 1 4\ndirect\n0.644040 0.644040 0.000000 Sr\n0.360974 0.360974 0.000000 Sm\n0.001394 0.001394 0.000000 Co\n0.837322 0.837322 0.000000 O\n0.176475 0.176475 0.000000 O\n0.989898 0.489898 0.500000 O\n0.489898 0.989898 0.500000 O\n",
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"formula_full": "Sr1 Sm1 Co1 O4",
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"formula_anonymous": "ABCD4",
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{
"id": "mp-1238781",
"created_at": "2022-09-04T14:46:57.543967Z",
"structure_string": "La4 Al2 O9\n1.0\n5.554378 -0.011653 0.617783\n-0.111748 6.418580 0.100761\n-1.396137 0.035876 7.347102\nLa Al O\n4 2 9\ndirect\n0.156477 0.860321 0.707477 La\n0.129403 0.672932 0.226976 La\n0.729796 0.415088 0.872417 La\n0.692371 0.162782 0.367169 La\n0.224528 0.340100 0.660192 Al\n0.221262 0.211927 0.089471 Al\n0.127076 0.204060 0.857062 O\n0.941966 0.391461 0.554991 O\n0.393703 0.572219 0.699963 O\n0.348559 0.978075 0.174299 O\n0.435379 0.151499 0.608557 O\n0.440872 0.410407 0.139020 O\n0.943864 0.876309 0.436107 O\n0.949907 0.313563 0.157752 O\n0.942128 0.705779 0.938822 O\n",
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"formula_full": "La4 Al2 O9",
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"energy": -126.00670756000002,
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{
"id": "mp-1200076",
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"structure_string": "Cr8 Xe4 F40\n1.0\n-8.915761 0.000000 0.000000\n-0.313595 -9.539883 0.000000\n1.573600 2.608113 10.393790\nCr Xe F\n8 4 40\ndirect\n0.218263 0.915882 0.375586 Cr\n0.781737 0.084118 0.624414 Cr\n0.291210 0.750706 0.026531 Cr\n0.708790 0.249294 0.973469 Cr\n0.417698 0.661710 0.711023 Cr\n0.582302 0.338290 0.288977 Cr\n0.399913 0.257763 0.558234 Cr\n0.600087 0.742237 0.441766 Cr\n0.077299 0.516527 0.278201 Xe\n0.922701 0.483473 0.721799 Xe\n0.198058 0.118430 0.934902 Xe\n0.801942 0.881570 0.065098 Xe\n0.078322 0.300303 0.240668 F\n0.921678 0.699697 0.759332 F\n0.069938 0.755425 0.320294 F\n0.930062 0.244575 0.679706 F\n0.081246 0.025577 0.311504 F\n0.918754 0.974423 0.688496 F\n0.365783 0.071615 0.429023 F\n0.634217 0.928385 0.570977 F\n0.375865 0.783454 0.420151 F\n0.624135 0.216546 0.579849 F\n0.168223 0.950400 0.530652 F\n0.831777 0.049600 0.469348 F\n0.284336 0.856403 0.208367 F\n0.715664 0.143597 0.791633 F\n0.108159 0.672231 0.019217 F\n0.891841 0.327769 0.980783 F\n0.403217 0.615815 0.076242 F\n0.596783 0.384185 0.923758 F\n0.435307 0.873567 0.022437 F\n0.564693 0.126433 0.977563 F\n0.151116 0.909219 0.969290 F\n0.848884 0.090781 0.030710 F\n0.224391 0.315448 0.903192 F\n0.775609 0.684552 0.096808 F\n0.293361 0.656322 0.844809 F\n0.706639 0.343678 0.155191 F\n0.588627 0.655557 0.818318 F\n0.411373 0.344443 0.181682 F\n0.546671 0.658532 0.574224 F\n0.453329 0.341468 0.425776 F\n0.253396 0.612648 0.592650 F\n0.746604 0.387352 0.407350 F\n0.398578 0.850106 0.737546 F\n0.601422 0.149894 0.262454 F\n0.442661 0.438992 0.677940 F\n0.557339 0.561008 0.322060 F\n0.389801 0.171620 0.682314 F\n0.610199 0.828380 0.317686 F\n0.207007 0.299563 0.526432 F\n0.792993 0.700437 0.473568 F\n",
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"formula_full": "Cr8 Xe4 F40",
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{
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"created_at": "2022-09-04T14:46:57.566772Z",
"structure_string": "K4 Ag2 F8\n1.0\n6.163181 0.000000 0.000000\n0.000000 0.000000 6.483025\n-3.081590 -6.504617 0.000000\nK Ag F\n4 2 8\ndirect\n0.642566 0.019881 0.285131 K\n0.357434 0.980119 0.714869 K\n0.857434 0.519881 0.714869 K\n0.142566 0.480119 0.285131 K\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.223875 0.250000 0.947750 F\n0.776125 0.750000 0.052250 F\n0.276125 0.750000 0.052250 F\n0.723875 0.250000 0.947750 F\n0.663106 0.428572 0.326212 F\n0.336894 0.571428 0.673788 F\n0.836894 0.928572 0.673788 F\n0.163106 0.071428 0.326212 F\n",
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{
"id": "mp-1212717",
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"structure_string": "Ho4 As8 O8\n1.0\n-5.436733 5.436733 6.754894\n5.436733 -5.436733 6.754894\n5.436733 5.436733 -6.754894\nHo As O\n4 8 8\ndirect\n0.875000 0.125000 0.750000 Ho\n0.375000 0.125000 0.250000 Ho\n0.875000 0.625000 0.750000 Ho\n0.875000 0.125000 0.250000 Ho\n0.771289 0.389455 0.381834 As\n0.007620 0.389455 0.618166 As\n0.139455 0.257620 0.118166 As\n0.742380 0.860545 0.881834 As\n0.978711 0.860545 0.118166 As\n0.139455 0.021289 0.881834 As\n0.610545 0.992380 0.381834 As\n0.610545 0.228711 0.618166 As\n0.574682 0.276272 0.298410 O\n0.977862 0.276272 0.701590 O\n0.026272 0.227862 0.201590 O\n0.772138 0.973728 0.798410 O\n0.175318 0.973728 0.201590 O\n0.026272 0.824682 0.798410 O\n0.723728 0.022138 0.298410 O\n0.723728 0.425318 0.701590 O\n",
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{
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"structure_string": "Te12 As8 C6 N6 F48\n1.0\n5.069185 7.422613 0.000000\n-5.069185 7.422613 0.000000\n0.000000 5.814683 18.956996\nTe As C N F\n12 8 6 6 48\ndirect\n0.006291 0.690340 0.671117 Te\n0.170780 0.480621 0.350483 Te\n0.532131 0.847071 0.784588 Te\n0.847071 0.532131 0.784588 Te\n0.480621 0.170780 0.350483 Te\n0.467869 0.152929 0.215412 Te\n0.152929 0.467869 0.215412 Te\n0.309660 0.993709 0.328883 Te\n0.993709 0.309660 0.328883 Te\n0.519379 0.829220 0.649517 Te\n0.690340 0.006291 0.671117 Te\n0.829220 0.519379 0.649517 Te\n0.136845 0.136845 0.544014 As\n0.001023 0.001023 0.800978 As\n0.998977 0.998977 0.199022 As\n0.590538 0.590538 0.243133 As\n0.863155 0.863155 0.455986 As\n0.409462 0.409462 0.756867 As\n0.500000 0.500000 0.500000 As\n0.500000 0.500000 0.000000 As\n0.951634 0.951634 0.010630 C\n0.518021 0.973793 0.968323 C\n0.026207 0.481979 0.031677 C\n0.481979 0.026207 0.031677 C\n0.048366 0.048366 0.989370 C\n0.973793 0.518021 0.968323 C\n0.130643 0.130643 0.971490 N\n0.548549 0.928970 0.914646 N\n0.071030 0.451451 0.085354 N\n0.451451 0.071030 0.085354 N\n0.869357 0.869357 0.028510 N\n0.928970 0.548549 0.914646 N\n0.904317 0.655730 0.495590 F\n0.071767 0.822590 0.418577 F\n0.777630 0.526340 0.187553 F\n0.326945 0.326945 0.708756 F\n0.424715 0.424715 0.443787 F\n0.674252 0.325748 0.000000 F\n0.597287 0.597287 0.033903 F\n0.646317 0.399922 0.302648 F\n0.447163 0.694988 0.447181 F\n0.095683 0.344270 0.504410 F\n0.123715 0.123715 0.184196 F\n0.552837 0.305012 0.552819 F\n0.344270 0.095683 0.504410 F\n0.575285 0.575285 0.556213 F\n0.875123 0.875123 0.217904 F\n0.499118 0.499118 0.799783 F\n0.883531 0.134006 0.135614 F\n0.822742 0.822742 0.381082 F\n0.673055 0.673055 0.291244 F\n0.655730 0.904317 0.495590 F\n0.500882 0.500882 0.200217 F\n0.134006 0.883531 0.135614 F\n0.177258 0.177258 0.618918 F\n0.526340 0.777630 0.187553 F\n0.865994 0.116469 0.864386 F\n0.928233 0.177410 0.581423 F\n0.876285 0.876285 0.815804 F\n0.420569 0.420569 0.088807 F\n0.132318 0.885606 0.734805 F\n0.114394 0.867682 0.265195 F\n0.353683 0.600078 0.697352 F\n0.099568 0.099568 0.465923 F\n0.305012 0.552837 0.552819 F\n0.399922 0.646317 0.302648 F\n0.900432 0.900432 0.534077 F\n0.473660 0.222370 0.812447 F\n0.124877 0.124877 0.782096 F\n0.822590 0.071767 0.418577 F\n0.867682 0.114394 0.265195 F\n0.579431 0.579431 0.911193 F\n0.325748 0.674252 0.000000 F\n0.222370 0.473660 0.812447 F\n0.885606 0.132318 0.734805 F\n0.116469 0.865994 0.864386 F\n0.694988 0.447163 0.447181 F\n0.402713 0.402713 0.966097 F\n0.177410 0.928233 0.581423 F\n0.600078 0.353683 0.697352 F\n",
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{
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