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{
"id": "mp-1197331",
"created_at": "2022-09-04T14:45:24.079270Z",
"structure_string": "Ho2 Al6 H72 C24\n1.0\n8.336692 5.946775 0.000000\n-8.336692 5.946775 0.000000\n0.000000 2.576024 13.009476\nHo Al H C\n2 6 72 24\ndirect\n0.729447 0.270553 0.250000 Ho\n0.270553 0.729447 0.750000 Ho\n0.543627 0.456373 0.250000 Al\n0.456373 0.543627 0.750000 Al\n0.863060 0.221461 0.444272 Al\n0.778539 0.136940 0.055728 Al\n0.136940 0.778539 0.555728 Al\n0.221461 0.863060 0.944272 Al\n0.619306 0.035938 0.389216 H\n0.964062 0.380694 0.110784 H\n0.380694 0.964062 0.610784 H\n0.035938 0.619306 0.889216 H\n0.729325 0.436320 0.081784 H\n0.563680 0.270675 0.418216 H\n0.270675 0.563680 0.918216 H\n0.436320 0.729325 0.581784 H\n0.752915 0.990130 0.433449 H\n0.009870 0.247085 0.066551 H\n0.247085 0.009870 0.566551 H\n0.990130 0.752915 0.933449 H\n0.835160 0.535680 0.165165 H\n0.464320 0.164840 0.334835 H\n0.164840 0.464320 0.834835 H\n0.535680 0.835160 0.665165 H\n0.949161 0.460970 0.419560 H\n0.539030 0.050839 0.080440 H\n0.050839 0.539030 0.580440 H\n0.460970 0.949161 0.919560 H\n0.647115 0.179422 0.587916 H\n0.820578 0.352885 0.912084 H\n0.352885 0.820578 0.412084 H\n0.179422 0.647115 0.087916 H\n0.765309 0.032444 0.301931 H\n0.967556 0.234691 0.198069 H\n0.234691 0.967556 0.698069 H\n0.032444 0.765309 0.801931 H\n0.710025 0.588968 0.114298 H\n0.411032 0.289975 0.385702 H\n0.289975 0.411032 0.885702 H\n0.588968 0.710025 0.614298 H\n0.804818 0.465342 0.364803 H\n0.534658 0.195182 0.135197 H\n0.195182 0.534658 0.635197 H\n0.465342 0.804818 0.864803 H\n0.087872 0.172246 0.369008 H\n0.827754 0.912128 0.130992 H\n0.912128 0.827754 0.630992 H\n0.172246 0.087872 0.869008 H\n0.960286 0.461924 0.289189 H\n0.538076 0.039714 0.210811 H\n0.039714 0.538076 0.710811 H\n0.461924 0.960286 0.789189 H\n0.804209 0.281269 0.626190 H\n0.718731 0.195791 0.873810 H\n0.195791 0.718731 0.373810 H\n0.281269 0.804209 0.126190 H\n0.766007 0.099498 0.629708 H\n0.900502 0.233993 0.870292 H\n0.233993 0.900502 0.370292 H\n0.099498 0.766007 0.129708 H\n0.417439 0.511305 0.102949 H\n0.488695 0.582561 0.397051 H\n0.582561 0.488695 0.897051 H\n0.511305 0.417439 0.602949 H\n0.293801 0.429776 0.215650 H\n0.570224 0.706199 0.284350 H\n0.706199 0.570224 0.784350 H\n0.429776 0.293801 0.715650 H\n0.359412 0.326536 0.139190 H\n0.673464 0.640588 0.360810 H\n0.640588 0.673464 0.860810 H\n0.326536 0.359412 0.639190 H\n0.065305 0.152480 0.505545 H\n0.847520 0.934695 0.994455 H\n0.934695 0.847520 0.494455 H\n0.152480 0.065305 0.005545 H\n0.132848 0.322113 0.430556 H\n0.677887 0.867152 0.069444 H\n0.867152 0.677887 0.569444 H\n0.322113 0.132848 0.930556 H\n0.727460 0.493173 0.147597 C\n0.506827 0.272540 0.352403 C\n0.272540 0.506827 0.852403 C\n0.493173 0.727460 0.647597 C\n0.388508 0.426469 0.169028 C\n0.573531 0.611492 0.330972 C\n0.611492 0.573531 0.830972 C\n0.426469 0.388508 0.669028 C\n0.885818 0.415690 0.361575 C\n0.584310 0.114182 0.138425 C\n0.114182 0.584310 0.638425 C\n0.415690 0.885818 0.861575 C\n0.734662 0.065346 0.374899 C\n0.934654 0.265338 0.125101 C\n0.265338 0.934654 0.625101 C\n0.065346 0.734662 0.874899 C\n0.758925 0.193657 0.584807 C\n0.806343 0.241075 0.915193 C\n0.241075 0.806343 0.415193 C\n0.193657 0.758925 0.084807 C\n0.056082 0.216212 0.435559 C\n0.783788 0.943918 0.064441 C\n0.943918 0.783788 0.564441 C\n0.216212 0.056082 0.935559 C\n",
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"formula_full": "Ho2 Al6 H72 C24",
"formula_reduced": "HoAl3(H3C)12",
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"energy": -515.40334489,
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"spacegroup": 15
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{
"id": "mp-1233648",
"created_at": "2022-09-04T14:45:20.571985Z",
"structure_string": "Mg1 Ag20 Bi4 O16\n1.0\n6.020131 -0.085993 -0.039612\n-0.128140 9.016878 -0.101841\n0.246699 -0.143101 13.222079\nMg Ag Bi O\n1 20 4 16\ndirect\n0.266865 0.727598 0.957377 Mg\n0.225120 0.725350 0.163031 Ag\n0.737000 0.778028 0.629922 Ag\n0.929740 0.480115 0.031923 Ag\n0.498813 0.997718 0.496725 Ag\n0.008329 0.150974 0.653877 Ag\n0.610487 0.565996 0.900630 Ag\n0.970165 0.858132 0.342632 Ag\n0.533060 0.370694 0.153857 Ag\n0.526354 0.985062 0.245360 Ag\n0.970658 0.481534 0.260209 Ag\n0.450738 0.021074 0.745129 Ag\n0.058489 0.512817 0.739329 Ag\n0.477372 0.036380 0.996549 Ag\n0.005664 0.498657 0.495220 Ag\n0.234418 0.272708 0.867791 Ag\n0.231908 0.773953 0.629541 Ag\n0.673018 0.731318 0.076774 Ag\n0.764519 0.224165 0.369600 Ag\n0.735580 0.260767 0.861230 Ag\n0.259567 0.223556 0.366365 Ag\n0.524571 0.380709 0.612756 Bi\n0.932462 0.897614 0.867884 Bi\n0.480601 0.619077 0.384602 Bi\n0.012050 0.111319 0.119393 Bi\n0.111016 0.345037 0.139359 O\n0.411506 0.859589 0.371602 O\n0.025517 0.654638 0.867025 O\n0.590780 0.137775 0.620260 O\n0.986118 0.915265 0.699577 O\n0.494537 0.389354 0.788099 O\n0.976986 0.144737 0.940583 O\n0.486406 0.638933 0.569138 O\n0.038901 0.839124 0.050880 O\n0.513541 0.356898 0.436054 O\n0.647399 0.133366 0.126079 O\n0.847465 0.633697 0.381612 O\n0.304241 0.913801 0.875690 O\n0.158436 0.367858 0.612552 O\n0.006887 0.088656 0.294245 O\n0.491049 0.595958 0.217874 O\n",
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"formula_full": "Mg1 Ag20 Bi4 O16",
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"spacegroup": 1
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{
"id": "mp-1110977",
"created_at": "2022-09-04T14:45:29.307668Z",
"structure_string": "Cs2 Y1 Cu1 F6\n1.0\n6.438510 -0.000000 -0.000000\n3.219256 5.575914 -0.000000\n3.219256 1.858638 5.257022\nCs Y Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.258046 0.741954 0.258046 F\n0.741954 0.741954 0.258046 F\n0.741954 0.258046 0.741954 F\n0.741954 0.258046 0.258046 F\n0.258046 0.741954 0.741954 F\n0.258046 0.258046 0.741954 F\n",
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{
"id": "mp-757874",
"created_at": "2022-09-04T14:45:19.783272Z",
"structure_string": "Li8 Si8 Bi8 O32\n1.0\n5.034006 0.000000 0.000000\n0.000000 7.962663 0.000000\n0.000000 0.000000 18.346740\nLi Si Bi O\n8 8 8 32\ndirect\n0.720585 0.016137 0.441284 Li\n0.232648 0.176187 0.854820 Li\n0.732648 0.323813 0.354820 Li\n0.220585 0.483863 0.941284 Li\n0.720585 0.516137 0.058716 Li\n0.232648 0.676187 0.645180 Li\n0.732648 0.823813 0.145180 Li\n0.220585 0.983863 0.558716 Li\n0.715501 0.219223 0.180422 Si\n0.224141 0.243652 0.430908 Si\n0.724141 0.256348 0.930908 Si\n0.215501 0.280777 0.680422 Si\n0.715501 0.719223 0.319578 Si\n0.224141 0.743652 0.069092 Si\n0.724141 0.756348 0.569092 Si\n0.215501 0.780777 0.819578 Si\n0.277039 0.044159 0.265199 Bi\n0.305433 0.185756 0.048300 Bi\n0.805433 0.314244 0.548300 Bi\n0.777039 0.455841 0.765199 Bi\n0.277039 0.544159 0.234801 Bi\n0.305433 0.685756 0.451700 Bi\n0.805433 0.814244 0.951700 Bi\n0.777039 0.955841 0.734801 Bi\n0.565293 0.052224 0.145201 O\n0.060813 0.103591 0.478654 O\n0.601543 0.076731 0.966536 O\n0.097552 0.114387 0.639476 O\n0.041539 0.204577 0.180439 O\n0.544503 0.236504 0.441169 O\n0.603803 0.219908 0.265701 O\n0.125325 0.233235 0.345114 O\n0.625325 0.266765 0.845114 O\n0.103803 0.280092 0.765701 O\n0.044503 0.263496 0.941169 O\n0.541539 0.295423 0.680439 O\n0.597552 0.385613 0.139476 O\n0.101543 0.423269 0.466536 O\n0.560813 0.396409 0.978654 O\n0.065293 0.447776 0.645201 O\n0.565293 0.552224 0.354799 O\n0.060813 0.603591 0.021346 O\n0.601543 0.576731 0.533464 O\n0.097552 0.614387 0.860524 O\n0.041539 0.704577 0.319561 O\n0.544503 0.736504 0.058831 O\n0.603803 0.719908 0.234299 O\n0.125325 0.733235 0.154886 O\n0.625325 0.766765 0.654886 O\n0.103803 0.780092 0.734299 O\n0.044503 0.763496 0.558831 O\n0.541539 0.795423 0.819561 O\n0.597552 0.885613 0.360524 O\n0.101543 0.923269 0.033464 O\n0.560813 0.896409 0.521346 O\n0.065293 0.947776 0.854799 O\n",
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{
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"structure_string": "Li6 Mn4 Si4 O16\n1.0\n-0.078838 -5.504642 5.150994\n6.349859 0.049492 5.103199\n0.097439 5.397450 5.035324\nLi Mn Si O\n6 4 4 16\ndirect\n0.781001 0.253828 0.445985 Li\n0.281064 0.253751 0.946164 Li\n0.530986 0.753742 0.199292 Li\n0.031133 0.753615 0.699460 Li\n0.967530 0.747012 0.294393 Li\n0.467421 0.747075 0.794375 Li\n0.571549 0.007625 0.392558 Mn\n0.923292 0.489610 0.098386 Mn\n0.071794 0.007792 0.892080 Mn\n0.423477 0.489645 0.598475 Mn\n0.667684 0.993802 0.831978 Si\n0.167514 0.993561 0.332205 Si\n0.328432 0.508010 0.173764 Si\n0.828503 0.507930 0.673807 Si\n0.857370 0.974232 0.985816 O\n0.357315 0.974095 0.485822 O\n0.246704 0.001559 0.123103 O\n0.747231 0.001853 0.623005 O\n0.953977 0.199958 0.275317 O\n0.454036 0.200093 0.775210 O\n0.932072 0.290662 0.659090 O\n0.432188 0.290467 0.159573 O\n0.132752 0.521310 0.257663 O\n0.633082 0.520909 0.758330 O\n0.505016 0.501234 0.325184 O\n0.005047 0.501175 0.825212 O\n0.743461 0.727888 0.431138 O\n0.243519 0.727879 0.931055 O\n0.650049 0.780097 0.967033 O\n0.150156 0.779729 0.467501 O\n",
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{
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"structure_string": "Rb8 W4 S16\n1.0\n7.182865 0.000000 0.000000\n0.000000 9.953502 0.000000\n0.000000 0.000000 12.797353\nRb W S\n8 4 16\ndirect\n0.250000 0.654674 0.394343 Rb\n0.750000 0.345326 0.605657 Rb\n0.250000 0.154674 0.105657 Rb\n0.750000 0.845326 0.894343 Rb\n0.250000 0.460480 0.832031 Rb\n0.750000 0.539520 0.167969 Rb\n0.250000 0.960480 0.667969 Rb\n0.750000 0.039520 0.332031 Rb\n0.250000 0.245878 0.428949 W\n0.750000 0.754122 0.571051 W\n0.250000 0.745878 0.071051 W\n0.750000 0.254122 0.928949 W\n0.250000 0.027591 0.395157 S\n0.750000 0.972409 0.604843 S\n0.250000 0.527591 0.104843 S\n0.750000 0.472409 0.895157 S\n0.501023 0.660326 0.640316 S\n0.001023 0.339674 0.359684 S\n0.998977 0.160326 0.859684 S\n0.498977 0.839674 0.140316 S\n0.498977 0.339674 0.359684 S\n0.998977 0.660326 0.640316 S\n0.001023 0.839674 0.140316 S\n0.501023 0.160326 0.859684 S\n0.750000 0.216923 0.099279 S\n0.250000 0.783077 0.900721 S\n0.750000 0.716923 0.400721 S\n0.250000 0.283077 0.599279 S\n",
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{
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