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{
"id": "mp-1103666",
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{
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{
"id": "mp-1200466",
"created_at": "2022-09-04T14:45:57.341656Z",
"structure_string": "Rb8 Sb8 S4 O20 F24\n1.0\n8.904122 0.000000 0.000000\n0.000000 8.904122 0.000000\n0.000000 0.000000 14.506360\nRb Sb S O F\n8 8 4 20 24\ndirect\n0.681046 0.158012 0.121780 Rb\n0.318954 0.841988 0.621780 Rb\n0.658012 0.818954 0.871780 Rb\n0.341988 0.181046 0.371780 Rb\n0.841988 0.318954 0.378220 Rb\n0.158012 0.681046 0.878220 Rb\n0.818954 0.658012 0.128220 Rb\n0.181046 0.341988 0.628220 Rb\n0.630356 0.172259 0.626702 Sb\n0.369644 0.827741 0.126702 Sb\n0.672259 0.869644 0.376702 Sb\n0.327741 0.130356 0.876702 Sb\n0.827741 0.369644 0.873298 Sb\n0.172259 0.630356 0.373298 Sb\n0.869644 0.672259 0.623298 Sb\n0.130356 0.327741 0.123298 Sb\n0.959741 0.040259 0.750000 S\n0.040259 0.959741 0.250000 S\n0.540259 0.540259 0.500000 S\n0.459741 0.459741 0.000000 S\n0.124060 0.070194 0.752245 O\n0.875940 0.929806 0.252245 O\n0.570194 0.375940 0.502245 O\n0.429806 0.624060 0.002245 O\n0.929806 0.875940 0.747755 O\n0.070194 0.124060 0.247755 O\n0.375940 0.570194 0.497755 O\n0.624060 0.429806 0.997755 O\n0.897634 0.118456 0.665784 O\n0.102366 0.881544 0.165784 O\n0.618456 0.602366 0.415784 O\n0.381544 0.397634 0.915784 O\n0.881544 0.102366 0.834216 O\n0.118456 0.897634 0.334216 O\n0.602366 0.618456 0.584216 O\n0.397634 0.381544 0.084216 O\n0.572714 0.427286 0.250000 O\n0.427286 0.572714 0.750000 O\n0.927286 0.927286 0.000000 O\n0.072714 0.072714 0.500000 O\n0.714645 0.089726 0.511118 F\n0.285355 0.910274 0.011118 F\n0.589726 0.785355 0.261118 F\n0.410274 0.214645 0.761118 F\n0.910274 0.285355 0.988882 F\n0.089726 0.714645 0.488882 F\n0.785355 0.589726 0.738882 F\n0.214645 0.410274 0.238882 F\n0.611148 0.963977 0.675095 F\n0.388852 0.036023 0.175095 F\n0.463977 0.888852 0.425095 F\n0.536023 0.111148 0.925095 F\n0.036023 0.388852 0.824905 F\n0.963977 0.611148 0.324905 F\n0.888852 0.463977 0.574905 F\n0.111148 0.536023 0.074905 F\n0.425091 0.130103 0.574107 F\n0.574909 0.869897 0.074107 F\n0.630103 0.074909 0.324107 F\n0.369897 0.925091 0.824107 F\n0.869897 0.574909 0.925893 F\n0.130103 0.425091 0.425893 F\n0.074909 0.630103 0.675893 F\n0.925091 0.369897 0.175893 F\n",
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"formula_full": "Rb8 Sb8 S4 O20 F24",
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"energy": -344.73084782,
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"spacegroup": 92
},
{
"id": "mp-1080042",
"created_at": "2022-09-04T14:45:57.344814Z",
"structure_string": "Ir2 C8\n1.0\n2.163039 -4.451329 0.000000\n2.163039 4.451329 0.000000\n0.000000 0.000000 4.902071\nIr C\n2 8\ndirect\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.182529 0.649195 0.623815 C\n0.850805 0.317471 0.123816 C\n0.149195 0.682529 0.123816 C\n0.817471 0.350805 0.623815 C\n0.317471 0.850805 0.876184 C\n0.649195 0.182529 0.376185 C\n0.350805 0.817471 0.376184 C\n0.682529 0.149195 0.876185 C\n",
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"volume": 94.39818346800763,
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"formula_full": "Ir2 C8",
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{
"id": "mp-510271",
"created_at": "2022-09-04T14:45:57.354471Z",
"structure_string": "Co4 H48 Br8 O24\n1.0\n-3.015004 5.103351 -2.918871\n0.544297 10.023339 21.203628\n6.559739 -0.028987 -0.798789\nCo H Br O\n4 48 8 24\ndirect\n0.000054 0.500163 0.500100 Co\n0.499947 0.749823 0.249885 Co\n0.999937 0.999823 0.999894 Co\n0.500061 0.250187 0.750115 Co\n0.141213 0.205265 0.063990 H\n0.641082 0.455336 0.814238 H\n0.140956 0.705231 0.564200 H\n0.641109 0.955143 0.314042 H\n0.358749 0.044746 0.685993 H\n0.858914 0.294853 0.435996 H\n0.359040 0.544760 0.185736 H\n0.858927 0.794663 0.935814 H\n0.083986 0.137616 0.053547 H\n0.583786 0.387699 0.803867 H\n0.083866 0.637593 0.553784 H\n0.584016 0.887473 0.303483 H\n0.416045 0.112405 0.696423 H\n0.915955 0.362513 0.446507 H\n0.416149 0.612404 0.196220 H\n0.916190 0.862292 0.946174 H\n0.329716 0.067027 0.349040 H\n0.829600 0.317293 0.098885 H\n0.328994 0.567037 0.848268 H\n0.829038 0.816801 0.598439 H\n0.781496 0.182933 0.012305 H\n0.281527 0.433185 0.762155 H\n0.781253 0.682945 0.512041 H\n0.281253 0.932641 0.262075 H\n0.170453 0.182974 0.401088 H\n0.671004 0.433196 0.151661 H\n0.170952 0.682951 0.901627 H\n0.670233 0.932715 0.650994 H\n0.718474 0.067100 0.737735 H\n0.218803 0.317338 0.487913 H\n0.718776 0.567053 0.238080 H\n0.218435 0.816802 0.987719 H\n0.416834 0.054854 0.161136 H\n0.916975 0.305054 0.911128 H\n0.416962 0.554754 0.661022 H\n0.916949 0.804559 0.411112 H\n0.606358 0.195239 0.112299 H\n0.106428 0.445457 0.862265 H\n0.606250 0.695252 0.612298 H\n0.106078 0.945011 0.361937 H\n0.083089 0.195169 0.588855 H\n0.583062 0.445442 0.338923 H\n0.083022 0.695234 0.088940 H\n0.583115 0.944933 0.838892 H\n0.893683 0.054772 0.637934 H\n0.393889 0.304988 0.387849 H\n0.893825 0.554745 0.137903 H\n0.393485 0.804535 0.887522 H\n0.795100 0.039104 0.244318 Br\n0.295024 0.289380 0.993657 Br\n0.794738 0.539398 0.744832 Br\n0.294667 0.789319 0.493903 Br\n0.704922 0.210799 0.506345 Br\n0.205331 0.460758 0.255268 Br\n0.705356 0.710559 0.006009 Br\n0.204866 0.960730 0.755580 Br\n0.062271 0.175384 0.113040 O\n0.562051 0.425470 0.863278 O\n0.062083 0.675349 0.613312 O\n0.562060 0.925229 0.362850 O\n0.437846 0.074629 0.637098 O\n0.937824 0.324764 0.387022 O\n0.438035 0.574653 0.136767 O\n0.937832 0.824524 0.886646 O\n0.280689 0.060981 0.183467 O\n0.780819 0.311295 0.933333 O\n0.280625 0.561078 0.682779 O\n0.780592 0.810777 0.432930 O\n0.621987 0.188993 0.969784 O\n0.122003 0.439228 0.719711 O\n0.621683 0.688901 0.469687 O\n0.121659 0.938598 0.219425 O\n0.219311 0.189031 0.566656 O\n0.719466 0.439245 0.317173 O\n0.219319 0.688903 0.067113 O\n0.719170 0.938671 0.816552 O\n0.878007 0.061063 0.780415 O\n0.378344 0.311333 0.530396 O\n0.878366 0.561100 0.280517 O\n0.377962 0.810779 0.030087 O\n",
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{
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"structure_string": "V4 O4 F12\n1.0\n5.343035 0.000000 0.000000\n0.129588 5.559556 0.000000\n0.380407 0.197165 9.625193\nV O F\n4 4 12\ndirect\n0.478944 0.781318 0.773400 V\n0.035702 0.533971 0.527218 V\n0.543086 0.263090 0.276460 V\n0.021055 0.035584 0.020327 V\n0.284007 0.949041 0.871531 O\n0.211364 0.695071 0.625353 O\n0.781061 0.293531 0.371192 O\n0.196477 0.192786 0.113012 O\n0.401443 0.994333 0.339109 F\n0.763915 0.789964 0.865520 F\n0.930560 0.742252 0.399320 F\n0.056138 0.735459 0.082879 F\n0.734520 0.538810 0.620575 F\n0.563969 0.502328 0.151959 F\n0.414595 0.484632 0.830698 F\n0.297308 0.450422 0.377286 F\n0.889472 0.241289 0.898527 F\n0.099391 0.234378 0.583581 F\n0.711343 0.058714 0.131021 F\n0.585647 0.983029 0.641034 F\n",
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},
{
"id": "mp-1219912",
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"structure_string": "Pr2 Co1 Si3\n1.0\n2.020376 -3.499395 0.000000\n2.020376 3.499395 0.000000\n0.000000 0.000000 8.655228\nPr Co Si\n2 1 3\ndirect\n0.333333 0.666667 0.744887 Pr\n0.333333 0.666667 0.255113 Pr\n0.666667 0.333333 0.500000 Co\n0.666667 0.333333 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:45:57.243385Z",
"structure_string": "Na12 Mn6 Si12 O36\n1.0\n7.463222 0.000000 0.000000\n0.000000 10.436161 0.000000\n0.000000 0.000000 10.453034\nNa Mn Si O\n12 6 12 36\ndirect\n0.272347 0.263937 0.982358 Na\n0.272347 0.736063 0.982358 Na\n0.727653 0.236063 0.482358 Na\n0.727653 0.763937 0.482358 Na\n0.769705 0.238386 0.011269 Na\n0.769705 0.761614 0.011269 Na\n0.230295 0.261614 0.511269 Na\n0.230295 0.738386 0.511269 Na\n0.751686 0.500000 0.252176 Na\n0.248314 0.000000 0.752176 Na\n0.235953 0.000000 0.247381 Na\n0.764047 0.500000 0.747381 Na\n0.748176 0.000000 0.247485 Mn\n0.251824 0.500000 0.747485 Mn\n0.015876 0.000000 0.010154 Mn\n0.984124 0.500000 0.510154 Mn\n0.518610 0.500000 0.983504 Mn\n0.481390 0.000000 0.483504 Mn\n0.500479 0.000000 0.968291 Si\n0.499521 0.500000 0.468291 Si\n0.030596 0.272891 0.241430 Si\n0.030596 0.727109 0.241430 Si\n0.969404 0.227109 0.741430 Si\n0.969404 0.772891 0.741430 Si\n0.466804 0.272384 0.254738 Si\n0.466804 0.727616 0.254738 Si\n0.533196 0.227616 0.754738 Si\n0.533196 0.772384 0.754738 Si\n0.000813 0.500000 0.028163 Si\n0.999187 0.000000 0.528163 Si\n0.693904 0.000000 0.038372 O\n0.306096 0.500000 0.538372 O\n0.959253 0.337507 0.373566 O\n0.959253 0.662493 0.373566 O\n0.040747 0.162493 0.873566 O\n0.040747 0.837507 0.873566 O\n0.806416 0.000000 0.457055 O\n0.193584 0.500000 0.957055 O\n0.510152 0.373572 0.372744 O\n0.510152 0.626428 0.372744 O\n0.489848 0.126428 0.872744 O\n0.489848 0.873572 0.872744 O\n0.544619 0.137328 0.308477 O\n0.544619 0.862672 0.308477 O\n0.455381 0.362672 0.808477 O\n0.455381 0.637328 0.808477 O\n0.953522 0.136984 0.188861 O\n0.953522 0.863016 0.188861 O\n0.046478 0.363016 0.688861 O\n0.046478 0.636984 0.688861 O\n0.309283 0.000000 0.041886 O\n0.690717 0.500000 0.541886 O\n0.248173 0.253217 0.250702 O\n0.248173 0.746783 0.250702 O\n0.751827 0.246783 0.750702 O\n0.751827 0.753217 0.750702 O\n0.534402 0.334736 0.120713 O\n0.534402 0.665264 0.120713 O\n0.465598 0.165264 0.620713 O\n0.465598 0.834736 0.620713 O\n0.989999 0.372792 0.122407 O\n0.989999 0.627208 0.122407 O\n0.010001 0.127208 0.622407 O\n0.010001 0.872792 0.622407 O\n0.190928 0.000000 0.455307 O\n0.809072 0.500000 0.955307 O\n",
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