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{
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{
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{
"id": "mp-643071",
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"structure_string": "Yb4 Mg4 Fe3 H22\n1.0\n6.608886 0.000000 0.000000\n0.000000 6.608886 0.000000\n0.000000 0.000000 6.608886\nYb Mg Fe H\n4 4 3 22\ndirect\n0.289642 0.289642 0.710358 Yb\n0.289642 0.710358 0.289642 Yb\n0.710358 0.289642 0.289642 Yb\n0.710358 0.710358 0.710358 Yb\n0.786297 0.786297 0.213703 Mg\n0.786297 0.213703 0.786297 Mg\n0.213703 0.786297 0.786297 Mg\n0.213703 0.213703 0.213703 Mg\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.239401 H\n0.500000 0.760599 0.000000 H\n0.760599 0.000000 0.500000 H\n0.000000 0.760599 0.500000 H\n0.500000 0.000000 0.239401 H\n0.760599 0.500000 0.000000 H\n0.000000 0.500000 0.760599 H\n0.500000 0.239401 0.000000 H\n0.000000 0.239401 0.500000 H\n0.500000 0.000000 0.760599 H\n0.239401 0.000000 0.500000 H\n0.239401 0.500000 0.000000 H\n0.000000 0.000000 0.261305 H\n0.000000 0.738695 0.000000 H\n0.738695 0.000000 0.000000 H\n0.000000 0.000000 0.738695 H\n0.000000 0.261305 0.000000 H\n0.261305 0.000000 0.000000 H\n0.625774 0.625774 0.374226 H\n0.625774 0.374226 0.625774 H\n0.374226 0.625774 0.625774 H\n0.374226 0.374226 0.374226 H\n",
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{
"id": "mp-1199363",
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"structure_string": "Ba12 Al4 O16\n1.0\n10.646289 0.000000 0.000000\n0.000000 8.282746 0.000000\n0.000000 0.000000 7.356276\nBa Al O\n12 4 16\ndirect\n0.335971 0.526248 0.897762 Ba\n0.835971 0.973752 0.602238 Ba\n0.664029 0.026248 0.102238 Ba\n0.164029 0.473752 0.397762 Ba\n0.664029 0.473752 0.102238 Ba\n0.164029 0.026248 0.397762 Ba\n0.335971 0.973752 0.897762 Ba\n0.835971 0.526248 0.602238 Ba\n0.462934 0.750000 0.404365 Ba\n0.962934 0.750000 0.095635 Ba\n0.537066 0.250000 0.595635 Ba\n0.037066 0.250000 0.904365 Ba\n0.103866 0.750000 0.688947 Al\n0.603866 0.750000 0.811053 Al\n0.896134 0.250000 0.311053 Al\n0.396134 0.250000 0.188947 Al\n0.072084 0.566203 0.804501 O\n0.572083 0.933797 0.695499 O\n0.927917 0.066203 0.195499 O\n0.427916 0.433797 0.304501 O\n0.927917 0.433797 0.195499 O\n0.427916 0.066203 0.304501 O\n0.072084 0.933797 0.804501 O\n0.572083 0.566203 0.695499 O\n0.012309 0.750000 0.482974 O\n0.512309 0.750000 0.017026 O\n0.987691 0.250000 0.517026 O\n0.487691 0.250000 0.982974 O\n0.267112 0.750000 0.627781 O\n0.767112 0.750000 0.872219 O\n0.732888 0.250000 0.372219 O\n0.232888 0.250000 0.127781 O\n",
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"volume": 648.6801519433992,
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"formula_full": "Ba12 Al4 O16",
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"spacegroup": 62
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{
"id": "mp-11112",
"created_at": "2022-09-04T14:46:22.200235Z",
"structure_string": "Tb2 B6 O12\n1.0\n-3.078808 3.914840 4.205106\n3.078808 -3.914840 4.205106\n3.078808 3.914840 -4.205106\nTb B O\n2 6 12\ndirect\n0.750000 0.000000 0.750000 Tb\n0.250000 0.000000 0.250000 Tb\n0.250000 0.500000 0.750000 B\n0.750000 0.500000 0.250000 B\n0.182415 0.801076 0.618661 B\n0.682415 0.563754 0.881339 B\n0.817585 0.198924 0.381339 B\n0.317585 0.436246 0.118661 B\n0.047835 0.243790 0.499415 O\n0.337331 0.901574 0.564243 O\n0.837331 0.773088 0.935757 O\n0.662669 0.098426 0.435757 O\n0.452165 0.451580 0.695955 O\n0.255625 0.756210 0.804045 O\n0.547835 0.548420 0.304045 O\n0.744375 0.243790 0.195955 O\n0.952165 0.756210 0.500585 O\n0.755625 0.451580 0.999415 O\n0.162669 0.226912 0.064243 O\n0.244375 0.548420 0.000585 O\n",
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"formula_full": "Tb2 B6 O12",
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{
"id": "mp-581156",
"created_at": "2022-09-04T14:46:22.224491Z",
"structure_string": "Cs14 U16 V4 Cl2 O64\n1.0\n7.748978 0.000000 0.000000\n0.000000 11.970365 0.000000\n0.000000 0.000000 21.599453\nCs U V Cl O\n14 16 4 2 64\ndirect\n0.540426 0.500000 0.276977 Cs\n0.447940 0.690490 0.101659 Cs\n0.459574 0.000000 0.223023 Cs\n0.746021 0.500000 0.500000 Cs\n0.552060 0.190490 0.398341 Cs\n0.552060 0.190490 0.601659 Cs\n0.447940 0.309510 0.898341 Cs\n0.540426 0.500000 0.723023 Cs\n0.459574 0.000000 0.776977 Cs\n0.552060 0.809510 0.398341 Cs\n0.253979 0.000000 0.000000 Cs\n0.447940 0.690490 0.898341 Cs\n0.552060 0.809510 0.601659 Cs\n0.447940 0.309510 0.101659 Cs\n0.050687 0.694366 0.325981 U\n0.949313 0.194366 0.174019 U\n0.947408 0.715695 0.000000 U\n0.004186 0.000000 0.655722 U\n0.995814 0.500000 0.844278 U\n0.004186 0.000000 0.344278 U\n0.949313 0.805634 0.825981 U\n0.050687 0.694366 0.674019 U\n0.052592 0.784305 0.500000 U\n0.947408 0.284305 0.000000 U\n0.949313 0.194366 0.825981 U\n0.050687 0.305634 0.325981 U\n0.050687 0.305634 0.674019 U\n0.052592 0.215695 0.500000 U\n0.949313 0.805634 0.174019 U\n0.995814 0.500000 0.155722 U\n0.779118 0.000000 0.088312 V\n0.220882 0.500000 0.588312 V\n0.220882 0.500000 0.411688 V\n0.779118 0.000000 0.911688 V\n0.887944 0.000000 0.500000 Cl\n0.112056 0.500000 0.000000 Cl\n0.124622 0.627360 0.564694 O\n0.716826 0.778088 0.813469 O\n0.757080 0.500000 0.840528 O\n0.563744 0.000000 0.917322 O\n0.283174 0.721912 0.686531 O\n0.974428 0.335722 0.899371 O\n0.875378 0.127360 0.064694 O\n0.824253 0.261447 0.500000 O\n0.987314 0.145214 0.275354 O\n0.763973 0.000000 0.652008 O\n0.875378 0.872640 0.064694 O\n0.563744 0.000000 0.082678 O\n0.974428 0.664278 0.899371 O\n0.025572 0.164278 0.399371 O\n0.824517 0.653054 0.341560 O\n0.721859 0.333671 0.000000 O\n0.757080 0.500000 0.159472 O\n0.824517 0.653054 0.658440 O\n0.025572 0.164278 0.600629 O\n0.875378 0.872640 0.935306 O\n0.763973 0.000000 0.347992 O\n0.283174 0.721912 0.313469 O\n0.721859 0.666329 0.000000 O\n0.278141 0.833671 0.500000 O\n0.875378 0.127360 0.935306 O\n0.974428 0.664278 0.100629 O\n0.845120 0.000000 0.166556 O\n0.124622 0.627360 0.435306 O\n0.175747 0.238553 0.000000 O\n0.025572 0.835722 0.600629 O\n0.242920 0.000000 0.340528 O\n0.987314 0.854786 0.724646 O\n0.436256 0.500000 0.417322 O\n0.236027 0.500000 0.152008 O\n0.824253 0.738553 0.500000 O\n0.283174 0.278088 0.313469 O\n0.716826 0.221912 0.813469 O\n0.175483 0.846946 0.158440 O\n0.154880 0.500000 0.666556 O\n0.824517 0.346946 0.341560 O\n0.987314 0.145214 0.724646 O\n0.124622 0.372640 0.435306 O\n0.175483 0.153054 0.841560 O\n0.974428 0.335722 0.100629 O\n0.436256 0.500000 0.582678 O\n0.845120 0.000000 0.833444 O\n0.012686 0.354786 0.224646 O\n0.175747 0.761447 0.000000 O\n0.278141 0.166329 0.500000 O\n0.124622 0.372640 0.564694 O\n0.175483 0.846946 0.841560 O\n0.012686 0.354786 0.775354 O\n0.824517 0.346946 0.658440 O\n0.154880 0.500000 0.333444 O\n0.012686 0.645214 0.775354 O\n0.283174 0.278088 0.686531 O\n0.012686 0.645214 0.224646 O\n0.175483 0.153054 0.158440 O\n0.987314 0.854786 0.275354 O\n0.242920 0.000000 0.659472 O\n0.716826 0.778088 0.186531 O\n0.716826 0.221912 0.186531 O\n0.025572 0.835722 0.399371 O\n0.236027 0.500000 0.847992 O\n",
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{
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{
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"structure_string": "Mn2 Sn2 O6\n1.0\n2.789257 2.557690 12.840305\n-2.642166 2.888132 5.828997\n-2.403088 -3.707455 -4.162546\nMn Sn O\n2 2 6\ndirect\n0.403660 0.494111 0.073443 Mn\n0.596340 0.505889 0.926557 Mn\n0.761357 0.698488 0.835270 Sn\n0.238643 0.301512 0.164730 Sn\n0.884615 0.484456 0.599827 O\n0.582846 0.172634 0.876661 O\n0.324073 0.488766 0.245973 O\n0.115385 0.515544 0.400173 O\n0.417154 0.827366 0.123339 O\n0.675927 0.511234 0.754027 O\n",
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{
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