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{
"id": "mp-1016622",
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{
"id": "mp-863428",
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"structure_string": "Li12 Fe6 Si12 O36\n1.0\n0.000000 10.698947 11.990945\n3.163784 0.000000 11.990945\n3.163784 10.698947 0.000000\nLi Fe Si O\n12 6 12 36\ndirect\n0.988492 0.988492 0.511508 Li\n0.650529 0.650529 0.849471 Li\n0.087308 0.454348 0.543393 Li\n0.795080 0.070492 0.924464 Li\n0.325536 0.040036 0.454920 Li\n0.706607 0.335050 0.162692 Li\n0.738492 0.738492 0.261508 Li\n0.400529 0.400529 0.599471 Li\n0.335050 0.706607 0.795652 Li\n0.040036 0.325536 0.179508 Li\n0.070492 0.795080 0.209964 Li\n0.454348 0.087308 0.914950 Li\n0.868720 0.868720 0.631280 Fe\n0.921730 0.225418 0.744910 Fe\n0.505090 0.142058 0.328270 Fe\n0.618720 0.618720 0.381280 Fe\n0.142058 0.505090 0.024582 Fe\n0.225418 0.921730 0.107942 Fe\n0.163750 0.163750 0.336250 Si\n0.486046 0.486046 0.013954 Si\n0.562198 0.955000 0.053598 Si\n0.285795 0.579718 0.430968 Si\n0.819032 0.546481 0.964205 Si\n0.196402 0.820797 0.687802 Si\n0.913750 0.913750 0.086250 Si\n0.236046 0.236046 0.763954 Si\n0.820797 0.196402 0.295000 Si\n0.546481 0.819032 0.670282 Si\n0.579718 0.285795 0.703519 Si\n0.955000 0.562198 0.429203 Si\n0.427357 0.983417 0.086162 O\n0.748047 0.291877 0.776503 O\n0.604947 0.019351 0.923806 O\n0.026187 0.829781 0.606985 O\n0.467109 0.422105 0.159927 O\n0.179202 0.083048 0.451616 O\n0.805448 0.678511 0.890883 O\n0.762819 0.500532 0.925937 O\n0.398499 0.123567 0.304543 O\n0.945457 0.076609 0.851501 O\n0.324063 0.439287 0.487181 O\n0.359117 0.624842 0.444552 O\n0.798384 0.963866 0.070798 O\n0.090073 0.299140 0.782891 O\n0.643015 0.712953 0.223813 O\n0.326194 0.798104 0.645053 O\n0.473497 0.066426 0.501953 O\n0.163838 0.746937 0.822643 O\n0.746937 0.163838 0.266583 O\n0.066426 0.473497 0.958123 O\n0.798104 0.326194 0.230649 O\n0.712953 0.643015 0.420219 O\n0.299140 0.090073 0.827895 O\n0.963866 0.798384 0.166952 O\n0.624842 0.359117 0.571489 O\n0.439287 0.324063 0.749468 O\n0.076609 0.945457 0.126433 O\n0.123567 0.398499 0.173391 O\n0.500532 0.762819 0.810713 O\n0.678511 0.805448 0.625158 O\n0.083048 0.179202 0.286134 O\n0.422105 0.467109 0.950860 O\n0.829781 0.026187 0.537047 O\n0.019351 0.604947 0.451896 O\n0.291877 0.748047 0.183574 O\n0.983417 0.427357 0.503063 O\n",
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"formula_full": "Li12 Fe6 Si12 O36",
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},
{
"id": "mp-16183",
"created_at": "2022-09-04T14:47:46.473830Z",
"structure_string": "Tl4 B4 Se14\n1.0\n3.714391 7.826026 0.000000\n-3.714391 7.826026 0.000000\n0.000000 6.353146 10.627649\nTl B Se\n4 4 14\ndirect\n0.107631 0.679431 0.536163 Tl\n0.320569 0.892369 0.963837 Tl\n0.892369 0.320569 0.463837 Tl\n0.679431 0.107631 0.036163 Tl\n0.605180 0.162168 0.349494 B\n0.837832 0.394820 0.150506 B\n0.394820 0.837832 0.650506 B\n0.162168 0.605180 0.849494 B\n0.182838 0.559669 0.021345 Se\n0.440331 0.817162 0.478655 Se\n0.817162 0.440331 0.978655 Se\n0.559669 0.182838 0.521345 Se\n0.142804 0.393260 0.831623 Se\n0.606740 0.857196 0.668377 Se\n0.857196 0.606740 0.168377 Se\n0.393260 0.142804 0.331623 Se\n0.939860 0.891820 0.773443 Se\n0.108180 0.060140 0.726557 Se\n0.060140 0.108180 0.226557 Se\n0.891820 0.939860 0.273443 Se\n0.458355 0.541645 0.750000 Se\n0.541645 0.458355 0.250000 Se\n",
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"formula_full": "Tl4 B4 Se14",
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"spacegroup": 15
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{
"id": "mp-1111360",
"created_at": "2022-09-04T14:47:46.475625Z",
"structure_string": "Li2 Cu1 As1 F6\n1.0\n0.000000 4.193867 4.193867\n4.193867 0.000000 4.193867\n4.193867 4.193867 0.000000\nLi Cu As F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 As\n0.246203 0.246203 0.753797 F\n0.246203 0.753797 0.753797 F\n0.753797 0.753797 0.246203 F\n0.246203 0.753797 0.246203 F\n0.753797 0.246203 0.753797 F\n0.753797 0.246203 0.246203 F\n",
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{
"id": "mp-771595",
"created_at": "2022-09-04T14:47:46.477076Z",
"structure_string": "Ti4 Ni2 P4 O20\n1.0\n7.360966 0.000000 0.000000\n0.000000 6.503081 0.000000\n0.000000 0.098384 7.360421\nTi Ni P O\n4 2 4 20\ndirect\n0.223988 0.763697 0.659133 Ti\n0.276012 0.763697 0.159133 Ti\n0.723988 0.236303 0.840867 Ti\n0.776012 0.236303 0.340867 Ti\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.625890 0.744391 0.872505 P\n0.874110 0.744391 0.372505 P\n0.125890 0.255609 0.627495 P\n0.374110 0.255609 0.127495 P\n0.738991 0.942620 0.857257 O\n0.761009 0.942620 0.357257 O\n0.160055 0.727089 0.886179 O\n0.989445 0.749992 0.547395 O\n0.339945 0.727089 0.386179 O\n0.510555 0.749992 0.047395 O\n0.498748 0.721317 0.705207 O\n0.001252 0.721317 0.205207 O\n0.756144 0.559603 0.877411 O\n0.743856 0.559603 0.377411 O\n0.256144 0.440397 0.622589 O\n0.243856 0.440397 0.122589 O\n0.998748 0.278683 0.794793 O\n0.501252 0.278683 0.294793 O\n0.489445 0.250008 0.952605 O\n0.660055 0.272911 0.613821 O\n0.010555 0.250008 0.452605 O\n0.839945 0.272911 0.113821 O\n0.238991 0.057380 0.642743 O\n0.261009 0.057380 0.142743 O\n",
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{
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"structure_string": "Te6 As4 O22\n1.0\n-6.682768 0.000000 0.000000\n1.694878 7.653843 0.000000\n-0.039011 -4.003136 -9.883189\nTe As O\n6 4 22\ndirect\n0.312610 0.249331 0.521638 Te\n0.687390 0.750669 0.478362 Te\n0.206926 0.537338 0.800022 Te\n0.793074 0.462662 0.199978 Te\n0.232521 0.109581 0.840679 Te\n0.767479 0.890419 0.159321 Te\n0.684755 0.404910 0.887903 As\n0.315245 0.595090 0.112097 As\n0.811237 0.113969 0.605949 As\n0.188763 0.886031 0.394051 As\n0.797993 0.353939 0.054000 O\n0.202007 0.646061 0.946000 O\n0.257777 0.348732 0.688835 O\n0.742223 0.651268 0.311165 O\n0.525431 0.567781 0.847429 O\n0.474569 0.432219 0.152571 O\n0.297213 0.034058 0.683409 O\n0.702787 0.965942 0.316591 O\n0.913920 0.067960 0.770359 O\n0.086080 0.932040 0.229641 O\n0.994072 0.205650 0.487435 O\n0.005928 0.794350 0.512565 O\n0.170882 0.289120 0.928297 O\n0.829118 0.710880 0.071703 O\n0.555903 0.190441 0.885226 O\n0.444097 0.809559 0.114774 O\n0.649361 0.274596 0.554783 O\n0.350639 0.725404 0.445217 O\n0.871191 0.504193 0.775229 O\n0.128809 0.495807 0.224771 O\n0.676686 0.902859 0.594543 O\n0.323314 0.097141 0.405457 O\n",
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{
"id": "mp-1204449",
"created_at": "2022-09-04T14:47:46.484758Z",
"structure_string": "Cs24 Zn12 I48\n1.0\n8.568606 0.000000 0.000000\n0.000000 14.973488 0.000000\n0.000000 0.000000 33.298654\nCs Zn I\n24 12 48\ndirect\n0.749685 0.164901 0.508171 Cs\n0.249685 0.835099 0.491829 Cs\n0.249685 0.664901 0.991829 Cs\n0.749685 0.335099 0.008171 Cs\n0.744997 0.166614 0.841558 Cs\n0.244997 0.833386 0.158442 Cs\n0.244997 0.666614 0.658442 Cs\n0.744997 0.333386 0.341558 Cs\n0.749207 0.164537 0.174894 Cs\n0.249207 0.835463 0.825106 Cs\n0.249207 0.664537 0.325106 Cs\n0.749207 0.335463 0.674894 Cs\n0.748741 0.897112 0.623141 Cs\n0.248741 0.102888 0.376859 Cs\n0.248741 0.397112 0.876859 Cs\n0.748741 0.602888 0.123141 Cs\n0.753711 0.900330 0.956801 Cs\n0.253711 0.099670 0.043199 Cs\n0.253711 0.400330 0.543199 Cs\n0.753711 0.599670 0.456801 Cs\n0.742823 0.895744 0.289791 Cs\n0.242823 0.104256 0.710209 Cs\n0.242823 0.395744 0.210209 Cs\n0.742823 0.604256 0.789791 Cs\n0.746019 0.923661 0.754530 Zn\n0.246019 0.076339 0.245470 Zn\n0.246019 0.423661 0.745470 Zn\n0.746019 0.576339 0.254530 Zn\n0.750411 0.922216 0.087917 Zn\n0.250411 0.077784 0.912083 Zn\n0.250411 0.422216 0.412083 Zn\n0.750411 0.577784 0.587917 Zn\n0.742788 0.921631 0.421089 Zn\n0.242788 0.078369 0.578911 Zn\n0.242788 0.421631 0.078911 Zn\n0.742788 0.578369 0.921089 Zn\n0.737521 0.901152 0.499490 I\n0.237521 0.098848 0.500510 I\n0.237521 0.401152 0.000510 I\n0.737521 0.598848 0.999490 I\n0.749423 0.902375 0.832877 I\n0.249423 0.097625 0.167123 I\n0.249423 0.402375 0.667123 I\n0.749423 0.597625 0.332877 I\n0.754580 0.900593 0.166194 I\n0.254580 0.099407 0.833806 I\n0.254580 0.400593 0.333806 I\n0.754580 0.599407 0.666194 I\n0.726612 0.092175 0.730504 I\n0.226612 0.907825 0.269496 I\n0.226612 0.592175 0.769496 I\n0.726612 0.407825 0.230504 I\n0.758281 0.090874 0.063704 I\n0.258281 0.909126 0.936296 I\n0.258281 0.590874 0.436296 I\n0.758281 0.409126 0.563704 I\n0.758487 0.090396 0.397124 I\n0.258487 0.909604 0.602876 I\n0.258487 0.590396 0.102876 I\n0.758487 0.409604 0.897124 I\n0.500729 0.840079 0.724648 I\n0.000729 0.159921 0.275352 I\n0.000729 0.340079 0.775352 I\n0.500729 0.659921 0.224648 I\n0.493667 0.852291 0.057462 I\n0.993667 0.147709 0.942538 I\n0.993667 0.352291 0.442538 I\n0.493667 0.647709 0.557462 I\n0.484663 0.855887 0.389209 I\n0.984663 0.144113 0.610791 I\n0.984663 0.355887 0.110791 I\n0.484663 0.644113 0.889209 I\n0.505216 0.142546 0.276361 I\n0.005216 0.857454 0.723639 I\n0.005216 0.642546 0.223639 I\n0.505216 0.357454 0.776361 I\n0.498582 0.157403 0.942670 I\n0.998582 0.842597 0.057330 I\n0.998582 0.657403 0.557330 I\n0.498582 0.342597 0.442670 I\n0.489958 0.161515 0.607633 I\n0.989958 0.838485 0.392367 I\n0.989958 0.661515 0.892367 I\n0.489958 0.338485 0.107633 I\n",
"nsites": 84,
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"formula_full": "Cs24 Zn12 I48",
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{
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"structure_string": "Li1 Y2 Co1\n1.0\n-5.536245 6.067488 8.660098\n5.536245 -6.067488 8.660098\n5.536245 6.067488 -8.660098\nLi Y Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.300602 0.300602 Y\n0.000000 0.699398 0.699398 Y\n0.000000 0.500000 0.500000 Co\n",
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