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{
"id": "mp-1185137",
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"structure_string": "La6 Zr2\n1.0\n3.601878 -6.238635 0.000000\n3.601878 6.238635 0.000000\n0.000000 0.000000 5.876990\nLa Zr\n6 2\ndirect\n0.172499 0.344997 0.250000 La\n0.655003 0.827501 0.250000 La\n0.172499 0.827501 0.250000 La\n0.827501 0.655003 0.750000 La\n0.344997 0.172499 0.750000 La\n0.827501 0.172499 0.750000 La\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n",
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{
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"structure_string": "La10 Co2 Re6 O32\n1.0\n-3.983118 4.030940 0.334905\n0.008535 0.028772 20.507272\n3.991878 4.039354 -0.358464\nLa Co Re O\n10 2 6 32\ndirect\n0.000122 0.249802 0.000020 La\n0.999959 0.750180 0.999860 La\n0.486644 0.098311 0.028359 La\n0.487114 0.598940 0.026695 La\n0.512992 0.401301 0.973468 La\n0.513280 0.901461 0.971543 La\n0.965269 0.102174 0.506911 La\n0.965757 0.602608 0.506886 La\n0.034232 0.397631 0.493123 La\n0.034756 0.897603 0.493119 La\n0.499989 0.500038 0.500027 Co\n0.499971 0.999963 0.499979 Co\n0.999967 0.999969 0.000061 Re\n0.000024 0.500021 0.999932 Re\n0.556591 0.302872 0.444032 Re\n0.556081 0.802765 0.443889 Re\n0.443822 0.197224 0.556191 Re\n0.443611 0.697102 0.555717 Re\n0.688686 0.217499 0.304106 O\n0.688464 0.717170 0.303931 O\n0.311491 0.282729 0.696021 O\n0.311401 0.782578 0.695730 O\n0.776500 0.337771 0.218519 O\n0.775746 0.837876 0.218724 O\n0.224252 0.162082 0.781316 O\n0.223691 0.662216 0.781347 O\n0.455382 0.400840 0.548000 O\n0.454243 0.900445 0.548980 O\n0.545768 0.099475 0.451004 O\n0.544641 0.599264 0.451921 O\n0.070147 0.407743 0.920160 O\n0.069548 0.907647 0.919951 O\n0.930539 0.092319 0.080013 O\n0.930028 0.592257 0.079913 O\n0.297252 0.318379 0.230992 O\n0.297213 0.818195 0.230432 O\n0.702860 0.181767 0.769147 O\n0.702631 0.681680 0.769769 O\n0.777805 0.317095 0.694600 O\n0.778319 0.816849 0.693730 O\n0.222044 0.183108 0.306232 O\n0.221367 0.683009 0.305633 O\n0.695439 0.000263 0.810129 O\n0.696072 0.500926 0.810809 O\n0.303820 0.499184 0.189214 O\n0.304548 0.999675 0.189891 O\n0.178934 0.018159 0.713875 O\n0.179184 0.518477 0.714157 O\n0.820630 0.481553 0.285648 O\n0.821168 0.981806 0.286293 O\n",
"nsites": 50,
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"elements": [
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"formula_full": "La10 Co2 Re6 O32",
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{
"id": "mp-673602",
"created_at": "2022-09-04T14:47:11.967858Z",
"structure_string": "Al8 H24 O24\n1.0\n8.761616 0.000000 0.000000\n-0.048474 5.128603 0.000000\n-0.874726 -0.239600 9.331340\nAl H O\n8 24 24\ndirect\n0.943644 0.810028 0.522008 Al\n0.557577 0.306962 0.485397 Al\n0.527327 0.175334 0.993511 Al\n0.964120 0.675644 0.000724 Al\n0.001877 0.142748 0.487960 Al\n0.491246 0.642381 0.518685 Al\n0.484318 0.844156 0.000090 Al\n0.019115 0.341260 0.997809 Al\n0.810667 0.507617 0.650522 H\n0.663706 0.990790 0.386601 H\n0.298559 0.531782 0.871951 H\n0.171203 0.035936 0.098218 H\n0.166537 0.444473 0.392267 H\n0.320353 0.974731 0.619585 H\n0.699661 0.479235 0.132820 H\n0.632487 0.962185 0.783692 H\n0.134295 0.105096 0.819809 H\n0.368138 0.602442 0.119562 H\n0.336716 0.122598 0.291819 H\n0.188260 0.705725 0.713003 H\n0.833650 0.882697 0.205199 H\n0.642020 0.400042 0.840759 H\n0.158399 0.409797 0.635862 H\n0.235846 0.267143 0.723496 H\n0.331546 0.898910 0.387054 H\n0.273477 0.752852 0.273035 H\n0.664736 0.710666 0.790711 H\n0.835010 0.229547 0.212124 H\n0.810905 0.626936 0.301633 H\n0.730672 0.218428 0.709468 H\n0.349596 0.363251 0.201395 H\n0.060137 0.893017 0.857397 H\n0.631735 0.482370 0.617839 O\n0.848545 0.963353 0.391456 O\n0.115068 0.505998 0.887135 O\n0.361687 0.027034 0.106704 O\n0.357487 0.462559 0.396841 O\n0.130744 0.988419 0.613137 O\n0.875091 0.511625 0.111003 O\n0.622974 0.992149 0.887649 O\n0.657646 0.799508 0.629167 O\n0.845004 0.280199 0.380424 O\n0.210505 0.196789 0.873986 O\n0.291108 0.703956 0.117384 O\n0.336368 0.136551 0.397441 O\n0.165131 0.665185 0.611226 O\n0.789636 0.828105 0.111525 O\n0.711629 0.308207 0.878917 O\n0.214154 0.302202 0.622470 O\n0.279258 0.790253 0.383111 O\n0.647734 0.678938 0.891021 O\n0.841138 0.199701 0.102528 O\n0.782877 0.654642 0.402614 O\n0.709959 0.174453 0.608636 O\n0.348760 0.346334 0.095994 O\n0.160553 0.810908 0.892306 O\n",
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"density": 2.4713040986575106,
"density_atomic": 0.13355517351507706,
"volume": 419.30236415497717,
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"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
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"spacegroup": 1
},
{
"id": "mp-1191566",
"created_at": "2022-09-04T14:47:13.092242Z",
"structure_string": "Zn12 Sb10\n1.0\n5.458409 -6.143035 0.000000\n5.458409 6.143035 0.000000\n-1.455121 0.000000 8.087876\nZn Sb\n12 10\ndirect\n0.017560 0.932591 0.340533 Zn\n0.340533 0.017560 0.932591 Zn\n0.932591 0.340533 0.017560 Zn\n0.840533 0.432591 0.517560 Zn\n0.517560 0.840533 0.432591 Zn\n0.432591 0.517560 0.840533 Zn\n0.982440 0.067409 0.659467 Zn\n0.659467 0.982440 0.067409 Zn\n0.067409 0.659467 0.982440 Zn\n0.159467 0.567409 0.482440 Zn\n0.482440 0.159467 0.567409 Zn\n0.567409 0.482440 0.159467 Zn\n0.894473 0.605527 0.250000 Sb\n0.250000 0.894473 0.605527 Sb\n0.605527 0.250000 0.894473 Sb\n0.750000 0.105527 0.394473 Sb\n0.394473 0.750000 0.105527 Sb\n0.105527 0.394473 0.750000 Sb\n0.364066 0.364066 0.364066 Sb\n0.864066 0.864066 0.864066 Sb\n0.635934 0.635934 0.635934 Sb\n0.135934 0.135934 0.135934 Sb\n",
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{
"id": "mp-1199019",
"created_at": "2022-09-04T14:47:06.113769Z",
"structure_string": "Ag4 Sb4 S4 O8 F24\n1.0\n8.408338 0.000000 0.000000\n0.000000 7.836214 0.000000\n0.000000 7.666348 11.401868\nAg Sb S O F\n4 4 4 8 24\ndirect\n0.260565 0.709166 0.533244 Ag\n0.239435 0.709166 0.033244 Ag\n0.739435 0.290834 0.466756 Ag\n0.760565 0.290834 0.966756 Ag\n0.239746 0.367677 0.376474 Sb\n0.260254 0.367677 0.876474 Sb\n0.760254 0.632323 0.623526 Sb\n0.739746 0.632323 0.123526 Sb\n0.430278 0.000409 0.227011 S\n0.069722 0.000409 0.727011 S\n0.569722 0.999591 0.772989 S\n0.930278 0.999591 0.272989 S\n0.457535 0.871755 0.352705 O\n0.042465 0.871755 0.852705 O\n0.542465 0.128245 0.647295 O\n0.957535 0.128245 0.147295 O\n0.571412 0.078969 0.153637 O\n0.928588 0.078969 0.653637 O\n0.428588 0.921031 0.846363 O\n0.071412 0.921031 0.346363 O\n0.275245 0.079832 0.492737 F\n0.224755 0.079832 0.992737 F\n0.724755 0.920168 0.507263 F\n0.775245 0.920168 0.007263 F\n0.204578 0.652934 0.255898 F\n0.295422 0.652934 0.755898 F\n0.795422 0.347066 0.744102 F\n0.704578 0.347066 0.244102 F\n0.461411 0.421266 0.382669 F\n0.038589 0.421266 0.882669 F\n0.538589 0.578734 0.617331 F\n0.961411 0.578734 0.117331 F\n0.279204 0.325835 0.253306 F\n0.220796 0.325835 0.753306 F\n0.720796 0.674165 0.746694 F\n0.779204 0.674165 0.246694 F\n0.017354 0.306898 0.378394 F\n0.482646 0.306898 0.878394 F\n0.982646 0.693102 0.621606 F\n0.517354 0.693102 0.121606 F\n0.198703 0.422731 0.494543 F\n0.301297 0.422731 0.994543 F\n0.801297 0.577269 0.505457 F\n0.698703 0.577269 0.005457 F\n",
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{
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"structure_string": "Nd1 Mg1 Hg2\n1.0\n0.000000 3.671973 3.671973\n3.671973 0.000000 3.671973\n3.671973 3.671973 0.000000\nNd Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
"id": "mp-1029965",
"created_at": "2022-09-04T14:47:03.975564Z",
"structure_string": "K30 Os14 N38\n1.0\n6.878681 0.000000 0.000000\n-2.018454 -12.201012 0.000000\n-1.541939 0.025534 -19.016716\nK Os N\n30 14 38\ndirect\n0.507733 0.624665 0.436494 K\n0.492267 0.375335 0.563506 K\n0.634494 0.127213 0.652855 K\n0.365506 0.872787 0.347145 K\n0.715670 0.027373 0.201876 K\n0.284330 0.972627 0.798124 K\n0.930761 0.039770 0.392837 K\n0.069239 0.960230 0.607163 K\n0.766473 0.761266 0.283411 K\n0.233527 0.238734 0.716589 K\n0.862107 0.175020 0.833871 K\n0.137893 0.824980 0.166129 K\n0.861544 0.903026 0.894813 K\n0.138456 0.096974 0.105187 K\n0.713940 0.078824 0.010976 K\n0.286060 0.921176 0.989024 K\n0.590419 0.887664 0.538128 K\n0.409581 0.112336 0.461872 K\n0.596983 0.465713 0.277916 K\n0.403017 0.534287 0.722084 K\n0.984854 0.339487 0.019998 K\n0.015146 0.660513 0.980002 K\n0.918782 0.657493 0.782149 K\n0.081218 0.342507 0.217851 K\n0.784806 0.274380 0.372471 K\n0.215194 0.725620 0.627529 K\n0.596434 0.372430 0.843187 K\n0.403566 0.627570 0.156813 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.586195 0.276676 0.127367 Os\n0.413805 0.723324 0.872633 Os\n0.873908 0.402918 0.687490 Os\n0.126092 0.597082 0.312510 Os\n0.721918 0.646311 0.603105 Os\n0.278082 0.353689 0.396895 Os\n0.974730 0.778697 0.450961 Os\n0.025270 0.221303 0.549039 Os\n0.877757 0.550936 0.135471 Os\n0.122243 0.449064 0.864529 Os\n0.674671 0.864387 0.724401 Os\n0.325329 0.135613 0.275599 Os\n0.684388 0.792528 0.052110 Os\n0.315612 0.207472 0.947890 Os\n0.800131 0.212280 0.125437 N\n0.199869 0.787720 0.874563 N\n0.964213 0.312585 0.619965 N\n0.035787 0.687415 0.380035 N\n0.542905 0.091457 0.320641 N\n0.457095 0.908543 0.679359 N\n0.599908 0.772614 0.799355 N\n0.400092 0.227386 0.200645 N\n0.678331 0.425524 0.147431 N\n0.321669 0.574476 0.852569 N\n0.531949 0.398591 0.420330 N\n0.468051 0.601409 0.579670 N\n0.819758 0.111751 0.529613 N\n0.180242 0.888249 0.470387 N\n0.894585 0.705474 0.530695 N\n0.105415 0.294526 0.469305 N\n0.921070 0.884325 0.049129 N\n0.078930 0.115675 0.950871 N\n0.757004 0.834097 0.415400 N\n0.242996 0.165903 0.584600 N\n0.788846 0.784863 0.660572 N\n0.211154 0.215137 0.339428 N\n0.917366 0.474427 0.908329 N\n0.082634 0.525573 0.091671 N\n0.578964 0.764912 0.958752 N\n0.421036 0.235088 0.041248 N\n0.739421 0.662637 0.092842 N\n0.260579 0.337363 0.907158 N\n0.851433 0.983603 0.755074 N\n0.148567 0.016397 0.244926 N\n0.953895 0.610785 0.230019 N\n0.046105 0.389215 0.769981 N\n0.863476 0.541399 0.649292 N\n0.136524 0.458601 0.350708 N\n0.623210 0.351994 0.708035 N\n0.376790 0.648006 0.291965 N\n0.516411 0.852822 0.102433 N\n0.483589 0.147178 0.897567 N\n",
"nsites": 82,
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"formula_full": "K30 Os14 N38",
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{
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