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{
"id": "mp-1213894",
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"structure_string": "Ca4 Y4 B4 O16\n1.0\n3.640365 0.000000 0.000000\n0.000000 9.671181 0.000000\n0.000000 0.000000 10.504856\nCa Y B O\n4 4 4 16\ndirect\n0.250000 0.669096 0.082422 Ca\n0.750000 0.330904 0.917578 Ca\n0.750000 0.169096 0.417578 Ca\n0.250000 0.830904 0.582422 Ca\n0.250000 0.088740 0.111423 Y\n0.750000 0.911260 0.888577 Y\n0.750000 0.588740 0.388577 Y\n0.250000 0.411260 0.611423 Y\n0.250000 0.368281 0.201190 B\n0.750000 0.631719 0.798810 B\n0.750000 0.868281 0.298810 B\n0.250000 0.131719 0.701190 B\n0.250000 0.500342 0.251719 O\n0.750000 0.499658 0.748281 O\n0.750000 0.000342 0.248281 O\n0.250000 0.999658 0.751719 O\n0.250000 0.249472 0.277059 O\n0.750000 0.750528 0.722941 O\n0.750000 0.749472 0.222941 O\n0.250000 0.250528 0.777059 O\n0.250000 0.350709 0.068163 O\n0.750000 0.649291 0.931837 O\n0.750000 0.850709 0.431837 O\n0.250000 0.149291 0.568163 O\n0.250000 0.614817 0.506339 O\n0.750000 0.385183 0.493661 O\n0.750000 0.114817 0.993661 O\n0.250000 0.885183 0.006339 O\n",
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{
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"structure_string": "Rb1 Na1 Mg14 O15\n1.0\n8.495083 0.000000 0.000000\n0.000000 8.847980 0.000000\n0.000000 0.000000 4.405010\nRb Na Mg O\n1 1 14 15\ndirect\n0.099543 0.500000 0.000000 Rb\n0.987768 0.000000 0.000000 Na\n0.500016 0.000000 0.000000 Mg\n0.520901 0.500000 0.000000 Mg\n0.993329 0.241999 0.500000 Mg\n0.993329 0.758001 0.500000 Mg\n0.496830 0.252292 0.500000 Mg\n0.496830 0.747708 0.500000 Mg\n0.242078 0.000000 0.500000 Mg\n0.251250 0.500000 0.500000 Mg\n0.749272 0.000000 0.500000 Mg\n0.765988 0.500000 0.500000 Mg\n0.239864 0.216236 -0.000000 Mg\n0.239864 0.783764 0.000000 Mg\n0.760008 0.253929 0.000000 Mg\n0.760008 0.746071 -0.000000 Mg\n0.265144 0.000000 0.000000 O\n0.727448 0.000000 0.000000 O\n0.746091 0.500000 0.000000 O\n0.245352 0.260589 0.500000 O\n0.245352 0.739411 0.500000 O\n0.743577 0.251907 0.500000 O\n0.743577 0.748093 0.500000 O\n0.000872 0.000000 0.500000 O\n0.000301 0.500000 0.500000 O\n0.490755 0.000000 0.500000 O\n0.485156 0.500000 0.500000 O\n0.000409 0.242341 -0.000000 O\n0.000409 0.757659 0.000000 O\n0.479339 0.267049 -0.000000 O\n0.479339 0.732951 -0.000000 O\n",
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"elements": [
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"formula_full": "Rb1 Na1 Mg14 O15",
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"updated_at": "2021-11-28T01:35:26.413000Z",
"spacegroup": 25
},
{
"id": "mp-865078",
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"structure_string": "Gd4 Mg2\n1.0\n3.731024 0.000000 0.000000\n1.865512 8.691527 0.000000\n0.000000 0.000000 5.564930\nGd Mg\n4 2\ndirect\n0.980348 0.039307 0.000000 Gd\n0.661885 0.676233 0.000000 Gd\n0.797432 0.405137 0.500000 Gd\n0.115893 0.768213 0.500000 Gd\n0.322136 0.355726 0.000000 Mg\n0.455641 0.088718 0.500000 Mg\n",
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"density": 6.235123670792614,
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"spacegroup": 63
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{
"id": "mp-1187879",
"created_at": "2022-09-04T14:41:33.255248Z",
"structure_string": "Yb2 Ag1 Au1\n1.0\n0.000000 3.609415 3.609415\n3.609415 0.000000 3.609415\n3.609415 3.609415 0.000000\nYb Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
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"updated_at": "2021-11-28T01:35:21.945000Z",
"spacegroup": 225
},
{
"id": "mp-19205",
"created_at": "2022-09-04T14:41:33.022446Z",
"structure_string": "Er4 V4 O12\n1.0\n5.293231 0.000000 0.000000\n0.000000 5.718518 0.000000\n0.000000 0.000000 7.611880\nEr V O\n4 4 12\ndirect\n0.478761 0.428320 0.750000 Er\n0.978761 0.071680 0.250000 Er\n0.021239 0.928320 0.750000 Er\n0.521239 0.571680 0.250000 Er\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.692572 0.312825 0.438393 O\n0.192572 0.187175 0.561607 O\n0.807428 0.812825 0.061607 O\n0.307428 0.687175 0.938393 O\n0.307428 0.687175 0.561607 O\n0.807428 0.812825 0.438393 O\n0.192572 0.187175 0.938393 O\n0.692572 0.312825 0.061607 O\n0.123726 0.449771 0.250000 O\n0.623726 0.050229 0.750000 O\n0.376274 0.949771 0.250000 O\n0.876274 0.550229 0.750000 O\n",
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"volume": 230.40732022121048,
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"formula_full": "Er4 V4 O12",
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"spacegroup": 62
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{
"id": "mp-765483",
"created_at": "2022-09-04T14:41:33.026697Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n9.750955 0.000000 0.000000\n-4.844571 8.465143 0.000000\n-0.044900 -0.080707 14.383587\nLi V P O\n6 6 16 58\ndirect\n0.303272 0.079765 0.556685 Li\n0.908681 0.677133 0.053122 Li\n0.772965 0.093195 0.052199 Li\n0.914723 0.225848 0.563368 Li\n0.698173 0.913090 0.452087 Li\n0.057924 0.038123 0.000409 Li\n0.997004 0.564714 0.255206 V\n0.005499 0.440138 0.750413 V\n0.429333 0.996830 0.755623 V\n0.561992 0.000782 0.243659 V\n0.436489 0.433048 0.244648 V\n0.563355 0.563899 0.749966 V\n0.304190 0.225832 0.841539 P\n0.319466 0.092227 0.339892 P\n0.769318 0.686506 0.341533 P\n0.671411 0.335565 0.131579 P\n0.662986 0.326374 0.633458 P\n0.912457 0.688747 0.839483 P\n0.084782 0.775422 0.658857 P\n0.777485 0.091043 0.840320 P\n0.214902 0.912062 0.161569 P\n0.906710 0.226392 0.344749 P\n0.082672 0.306432 0.166051 P\n0.338584 0.668331 0.363130 P\n0.334779 0.666512 0.867143 P\n0.226527 0.312216 0.658928 P\n0.679310 0.907663 0.663712 P\n0.694573 0.776005 0.158628 P\n0.230648 0.224381 0.575756 O\n0.342199 0.259376 0.326527 O\n0.195656 0.993064 0.080460 O\n0.344915 0.090056 0.829283 O\n0.459003 0.385761 0.831545 O\n0.520361 0.328840 0.174641 O\n0.618334 0.525974 0.320698 O\n0.796421 0.787849 0.078912 O\n0.740414 0.655155 0.828281 O\n0.517873 0.175116 0.675717 O\n0.479901 0.100128 0.313688 O\n0.652955 0.466952 0.681875 O\n0.677840 0.334631 0.028440 O\n0.656216 0.323300 0.530366 O\n0.815261 0.488872 0.173860 O\n0.617193 0.087520 0.828132 O\n0.677802 0.186001 0.171235 O\n0.913005 0.658277 0.332692 O\n0.007540 0.799771 0.754219 O\n0.999699 0.772598 0.574032 O\n0.981700 0.764847 0.930504 O\n0.912506 0.529992 0.823537 O\n0.818366 0.333916 0.671419 O\n0.080010 0.736443 0.165761 O\n0.897337 0.378613 0.322463 O\n0.739748 0.077356 0.332967 O\n0.198720 0.986917 0.258669 O\n0.261956 0.020013 0.431505 O\n0.757304 0.996263 0.576606 O\n0.257660 0.918765 0.664444 O\n0.093034 0.621222 0.678737 O\n0.916191 0.261648 0.826714 O\n0.183055 0.659407 0.321793 O\n0.076277 0.461410 0.175466 O\n0.992755 0.201026 0.086743 O\n0.974788 0.232518 0.437801 O\n0.012178 0.213276 0.263483 O\n0.083210 0.341577 0.659358 O\n0.329186 0.813803 0.824112 O\n0.378668 0.917758 0.170136 O\n0.186832 0.517529 0.821337 O\n0.331126 0.666516 0.969763 O\n0.349245 0.677787 0.465646 O\n0.343257 0.526244 0.316678 O\n0.520644 0.901542 0.681542 O\n0.480834 0.820423 0.317196 O\n0.257745 0.346210 0.166531 O\n0.199344 0.207348 0.750683 O\n0.208434 0.202219 0.925442 O\n0.379225 0.472377 0.676897 O\n0.482118 0.670100 0.821888 O\n0.538252 0.616281 0.168517 O\n0.657478 0.915013 0.158899 O\n0.792031 0.023700 0.929918 O\n0.792750 0.996856 0.751957 O\n0.654978 0.738890 0.666343 O\n0.764686 0.767078 0.427697 O\n0.790840 0.799592 0.254218 O\n",
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"formula_full": "Li6 V6 P16 O58",
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"spacegroup": 1
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{
"id": "mp-1102179",
"created_at": "2022-09-04T14:41:33.031331Z",
"structure_string": "Tm4 Ni4 Sn4\n1.0\n4.407684 0.000000 0.000000\n0.000000 7.021950 0.000000\n0.000000 0.000000 7.637032\nTm Ni Sn\n4 4 4\ndirect\n0.250000 0.987399 0.296695 Tm\n0.250000 0.487399 0.203305 Tm\n0.750000 0.012601 0.703305 Tm\n0.750000 0.512601 0.796695 Tm\n0.250000 0.196400 0.912590 Ni\n0.250000 0.696400 0.587410 Ni\n0.750000 0.803600 0.087410 Ni\n0.750000 0.303600 0.412590 Ni\n0.250000 0.307167 0.586337 Sn\n0.250000 0.807167 0.913663 Sn\n0.750000 0.692833 0.413663 Sn\n0.750000 0.192833 0.086337 Sn\n",
"nsites": 12,
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],
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"density": 9.732310366465274,
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"volume": 236.37023891861384,
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"formula_full": "Tm4 Ni4 Sn4",
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"updated_at": "2021-11-28T01:35:21.061000Z",
"spacegroup": 62
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{
"id": "mp-758802",
"created_at": "2022-09-04T14:41:33.032519Z",
"structure_string": "Li12 Mn12 O32\n1.0\n5.908401 5.886535 0.000000\n-5.908401 5.886535 0.000000\n0.000000 0.195135 8.300812\nLi Mn O\n12 12 32\ndirect\n0.748175 0.251825 0.500000 Li\n0.221698 0.191777 0.504366 Li\n0.391432 0.386368 0.640488 Li\n0.001591 0.819406 0.727069 Li\n0.621281 0.129229 0.869460 Li\n0.134692 0.613423 0.890018 Li\n0.500544 0.499456 0.000000 Li\n0.386577 0.865308 0.109982 Li\n0.870771 0.378719 0.130540 Li\n0.180594 0.998409 0.272931 Li\n0.613632 0.608568 0.359512 Li\n0.808223 0.778302 0.495634 Li\n0.259995 0.740005 0.500000 Mn\n0.005444 0.501812 0.502623 Mn\n0.504625 0.751099 0.747558 Mn\n0.754570 0.507817 0.752530 Mn\n0.995764 0.260913 0.759057 Mn\n0.752384 0.754501 0.996352 Mn\n0.995152 0.004848 0.000000 Mn\n0.245499 0.247616 0.003648 Mn\n0.739087 0.004236 0.240943 Mn\n0.492183 0.245430 0.247470 Mn\n0.248901 0.495375 0.252442 Mn\n0.498188 0.994556 0.497377 Mn\n0.034509 0.728992 0.516348 O\n0.496139 0.757792 0.509906 O\n0.779721 0.520164 0.517134 O\n0.004487 0.274099 0.532956 O\n0.512600 0.978913 0.719447 O\n0.278713 0.732826 0.730554 O\n0.990729 0.494815 0.741575 O\n0.530848 0.522706 0.750222 O\n0.767723 0.282736 0.756570 O\n0.744835 0.743680 0.755485 O\n0.990255 0.038028 0.774793 O\n0.229506 0.263815 0.777443 O\n0.523154 0.752469 0.971629 O\n0.757995 0.529653 0.982487 O\n0.981471 0.782477 0.971504 O\n0.009555 0.241809 0.994774 O\n0.758191 0.990445 0.005226 O\n0.217523 0.018529 0.028496 O\n0.470347 0.242005 0.017513 O\n0.247531 0.476846 0.028371 O\n0.736185 0.770494 0.222557 O\n0.961972 0.009745 0.225207 O\n0.256320 0.255165 0.244515 O\n0.717264 0.232277 0.243430 O\n0.477294 0.469152 0.249778 O\n0.505185 0.009271 0.258425 O\n0.267174 0.721287 0.269446 O\n0.021087 0.487400 0.280553 O\n0.725901 0.995513 0.467044 O\n0.479836 0.220279 0.482866 O\n0.242208 0.503861 0.490094 O\n0.271008 0.965491 0.483652 O\n",
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"formula_full": "Li12 Mn12 O32",
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{
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}