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{
"id": "mp-1224609",
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"structure_string": "In4 Ga2 Cu6 Se12\n1.0\n2.906810 -2.898144 5.788081\n-2.906810 2.898144 5.788081\n-11.634215 -5.803233 0.000000\nIn Ga Cu Se\n4 2 6 12\ndirect\n0.750262 0.750262 0.500000 In\n0.833758 0.166780 0.668354 In\n0.499929 0.499929 0.000000 In\n0.166780 0.833758 0.331646 In\n0.416837 0.083478 0.833258 Ga\n0.083478 0.416837 0.166742 Ga\n0.251358 0.251358 0.500000 Cu\n0.916412 0.582081 0.834952 Cu\n0.582081 0.916412 0.165048 Cu\n0.335074 0.664922 0.667988 Cu\n0.999952 0.999952 0.000000 Cu\n0.664922 0.335074 0.332012 Cu\n0.103585 0.635840 0.999167 Se\n0.769887 0.979681 0.321776 Se\n0.436307 0.302872 0.664664 Se\n0.635840 0.103585 0.000833 Se\n0.302872 0.436307 0.335336 Se\n0.979681 0.769887 0.678224 Se\n0.050343 0.211459 0.844275 Se\n0.716100 0.545517 0.176511 Se\n0.364200 0.883366 0.510602 Se\n0.883366 0.364200 0.489398 Se\n0.545517 0.716100 0.823489 Se\n0.211459 0.050343 0.155725 Se\n",
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{
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n-2.935846 0.000000 0.000000\n-0.137835 -8.120155 0.000000\n0.910730 2.140314 10.388971\nLi Mn Co O\n8 2 4 14\ndirect\n0.281869 0.143872 0.567479 Li\n0.576917 0.298327 0.143624 Li\n0.866198 0.434051 0.720616 Li\n0.718131 0.856128 0.432521 Li\n0.000000 0.000000 0.000000 Li\n0.133802 0.565949 0.279384 Li\n0.423083 0.701673 0.856376 Li\n0.000000 0.500000 0.000000 Li\n0.436510 0.221911 0.859530 Mn\n0.563490 0.778089 0.140470 Mn\n0.714129 0.357585 0.428218 Co\n0.285871 0.642415 0.571782 Co\n0.870436 0.926647 0.715887 Co\n0.129564 0.073353 0.284113 Co\n0.888990 0.170127 0.728553 O\n0.118093 0.311438 0.292396 O\n0.420183 0.444962 0.852174 O\n0.262857 0.884305 0.577559 O\n0.537941 0.029032 0.151763 O\n0.686058 0.598487 0.437416 O\n0.025662 0.755878 0.018501 O\n0.737143 0.115695 0.422441 O\n0.974338 0.244122 0.981499 O\n0.313942 0.401513 0.562584 O\n0.111010 0.829873 0.271447 O\n0.462059 0.970968 0.848237 O\n0.579817 0.555038 0.147826 O\n0.881907 0.688562 0.707604 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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},
{
"id": "mp-30162",
"created_at": "2022-09-04T14:47:28.501107Z",
"structure_string": "La4 W4 O18\n1.0\n-7.168756 0.000000 0.000000\n-0.845439 -7.392180 0.000000\n-0.676786 -2.381862 7.028972\nLa W O\n4 4 18\ndirect\n0.842019 0.743600 0.849072 La\n0.157981 0.256400 0.150928 La\n0.375873 0.727381 0.589636 La\n0.624127 0.272619 0.410364 La\n0.156259 0.200834 0.644415 W\n0.843741 0.799166 0.355585 W\n0.724122 0.270683 0.940771 W\n0.275878 0.729317 0.059229 W\n0.343063 0.351547 0.640214 O\n0.656937 0.648453 0.359786 O\n0.015753 0.270574 0.846239 O\n0.984247 0.729426 0.153761 O\n0.490029 0.766488 0.906005 O\n0.509971 0.233512 0.093995 O\n0.660197 0.485646 0.749296 O\n0.339803 0.514354 0.250704 O\n0.272259 0.914546 0.173228 O\n0.727741 0.085454 0.826772 O\n0.817661 0.413997 0.089026 O\n0.182339 0.586003 0.910974 O\n0.977105 0.287320 0.469349 O\n0.022895 0.712680 0.530651 O\n0.853118 0.055595 0.203734 O\n0.146882 0.944405 0.796266 O\n0.317252 0.097136 0.468744 O\n0.682748 0.902864 0.531257 O\n",
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"formula_full": "La4 W4 O18",
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{
"id": "mp-725081",
"created_at": "2022-09-04T14:47:28.483142Z",
"structure_string": "K4 Hg4 C8 N8 Cl4 O4\n1.0\n4.426588 0.000000 0.000000\n0.000000 8.988935 0.000000\n0.000000 0.000000 18.212586\nK Hg C N Cl O\n4 4 8 8 4 4\ndirect\n0.750000 0.263226 0.514366 K\n0.750000 0.763226 0.985634 K\n0.250000 0.736774 0.485634 K\n0.250000 0.236774 0.014366 K\n0.250000 0.516272 0.751108 Hg\n0.250000 0.016272 0.748892 Hg\n0.750000 0.483728 0.248892 Hg\n0.750000 0.983728 0.251108 Hg\n0.250000 0.551843 0.861874 C\n0.250000 0.051843 0.638126 C\n0.750000 0.448157 0.138126 C\n0.750000 0.948157 0.361874 C\n0.250000 0.482801 0.639922 C\n0.250000 0.982801 0.860078 C\n0.750000 0.517199 0.360078 C\n0.750000 0.017199 0.139922 C\n0.250000 0.576692 0.924802 N\n0.250000 0.076692 0.575198 N\n0.750000 0.423308 0.075198 N\n0.750000 0.923308 0.424802 N\n0.250000 0.461656 0.576651 N\n0.250000 0.961656 0.923349 N\n0.750000 0.538344 0.423349 N\n0.750000 0.038344 0.076651 N\n0.750000 0.265591 0.778723 Cl\n0.750000 0.765591 0.721277 Cl\n0.250000 0.734409 0.221277 Cl\n0.250000 0.234409 0.278723 Cl\n0.250000 0.235080 0.412491 O\n0.250000 0.735080 0.087509 O\n0.750000 0.764920 0.587509 O\n0.750000 0.264920 0.912491 O\n",
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"elements": [
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],
"chemical_system": "C-Cl-Hg-K-N-O",
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"formula_full": "K4 Hg4 C8 N8 Cl4 O4",
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"spacegroup": 62
},
{
"id": "mp-19142",
"created_at": "2022-09-04T14:47:28.532277Z",
"structure_string": "Mn2 V2 O7\n1.0\n5.055916 0.078370 -0.672840\n-0.982085 5.239612 -1.566822\n0.049009 -0.141723 5.554320\nMn V O\n2 2 7\ndirect\n0.000000 0.812713 0.187287 Mn\n0.000000 0.187287 0.812713 Mn\n0.603718 0.255110 0.255110 V\n0.396282 0.744890 0.744890 V\n0.500000 0.500000 0.500000 O\n0.283062 0.080472 0.080472 O\n0.716938 0.919528 0.919528 O\n0.793487 0.432360 0.108206 O\n0.206513 0.891794 0.567640 O\n0.206513 0.567640 0.891794 O\n0.793487 0.108206 0.432360 O\n",
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"formula_full": "Mn2 V2 O7",
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"spacegroup": 12
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{
"id": "mp-1383162",
"created_at": "2022-09-04T14:47:28.516255Z",
"structure_string": "U1 P2 C2 N2 O8\n1.0\n-5.512057 0.000000 0.000000\n2.640104 4.848658 0.000000\n-0.359164 -2.763715 -9.655150\nU P C N O\n1 2 2 2 8\ndirect\n0.000000 0.500000 0.000000 U\n0.700634 0.756362 0.188699 P\n0.299366 0.243638 0.811301 P\n0.592220 0.949603 0.537862 C\n0.407780 0.050397 0.462138 C\n0.747332 0.861452 0.603619 N\n0.252668 0.138548 0.396381 N\n0.385401 0.635280 0.121300 O\n0.614599 0.364720 0.878700 O\n0.835877 0.632613 0.117903 O\n0.831815 0.083713 0.117953 O\n0.164123 0.367387 0.882097 O\n0.168185 0.916287 0.882047 O\n0.734123 0.691785 0.340685 O\n0.265877 0.308215 0.659315 O\n",
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{
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"structure_string": "As4 C16 S16 N16 Cl8 O8 F20\n1.0\n11.245732 0.000000 0.000000\n0.000000 12.016668 0.000000\n0.000000 7.453555 12.162174\nAs C S N Cl O F\n4 16 16 16 8 8 20\ndirect\n0.748442 0.445245 0.309242 As\n0.751558 0.445245 0.809242 As\n0.251558 0.554755 0.690758 As\n0.248442 0.554755 0.190758 As\n0.434539 0.733572 0.207521 C\n0.391596 0.115237 0.672608 C\n0.987349 0.239411 0.214152 C\n0.193601 0.009892 0.204097 C\n0.693601 0.990108 0.295903 C\n0.565461 0.266428 0.792479 C\n0.891596 0.884763 0.827392 C\n0.512651 0.239411 0.714152 C\n0.108404 0.115237 0.172608 C\n0.306399 0.009892 0.704097 C\n0.012651 0.760589 0.785848 C\n0.608404 0.884763 0.327392 C\n0.487349 0.760589 0.285848 C\n0.065461 0.733572 0.707521 C\n0.806399 0.990108 0.795903 C\n0.934539 0.266428 0.292479 C\n0.686057 0.925242 0.492451 S\n0.813943 0.925242 0.992451 S\n0.351826 0.577410 0.391356 S\n0.426406 0.195008 0.532090 S\n0.926406 0.804992 0.967910 S\n0.039664 0.297071 0.647763 S\n0.148174 0.577410 0.891356 S\n0.073594 0.195008 0.032090 S\n0.573594 0.804992 0.467910 S\n0.460336 0.297071 0.147763 S\n0.313943 0.074758 0.507549 S\n0.648174 0.422590 0.608644 S\n0.186057 0.074758 0.007549 S\n0.539664 0.702929 0.852237 S\n0.960336 0.702929 0.352237 S\n0.851826 0.422590 0.108644 S\n0.857712 0.365433 0.244896 N\n0.235004 0.983945 0.132542 N\n0.934124 0.858539 0.755622 N\n0.735004 0.016055 0.367458 N\n0.565876 0.858539 0.255622 N\n0.434124 0.141461 0.744378 N\n0.052447 0.678901 0.888505 N\n0.065876 0.141461 0.244378 N\n0.947553 0.321099 0.111495 N\n0.552447 0.321099 0.611495 N\n0.357712 0.634567 0.255104 N\n0.642288 0.365433 0.744896 N\n0.447553 0.678901 0.388505 N\n0.764996 0.016055 0.867458 N\n0.142288 0.634567 0.755104 N\n0.264996 0.983945 0.632542 N\n0.762198 0.082131 0.661632 Cl\n0.966550 0.180368 0.426947 Cl\n0.737802 0.082131 0.161632 Cl\n0.237802 0.917869 0.338368 Cl\n0.466550 0.819632 0.073053 Cl\n0.033450 0.819632 0.573053 Cl\n0.533450 0.180368 0.926947 Cl\n0.262198 0.917869 0.838368 Cl\n0.526202 0.814444 0.741349 O\n0.863308 0.705082 0.418215 O\n0.026202 0.185556 0.758651 O\n0.363308 0.294918 0.081785 O\n0.973798 0.814444 0.241349 O\n0.136692 0.294918 0.581785 O\n0.636692 0.705082 0.918215 O\n0.473798 0.185556 0.258651 O\n0.805400 0.286929 0.901136 F\n0.305400 0.713071 0.598864 F\n0.644424 0.465443 0.208688 F\n0.310957 0.401413 0.287218 F\n0.194600 0.713071 0.098864 F\n0.360710 0.575426 0.096453 F\n0.855576 0.465443 0.708688 F\n0.651348 0.515389 0.360861 F\n0.689043 0.598587 0.712782 F\n0.189043 0.401413 0.787218 F\n0.694600 0.286929 0.401136 F\n0.139290 0.575426 0.596453 F\n0.860710 0.424574 0.403547 F\n0.639290 0.424574 0.903547 F\n0.348652 0.484611 0.639139 F\n0.151348 0.484611 0.139139 F\n0.810957 0.598587 0.212782 F\n0.848652 0.515389 0.860861 F\n0.355576 0.534557 0.791312 F\n0.144424 0.534557 0.291312 F\n",
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{
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{
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{
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{
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}