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{
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{
"id": "mp-1040451",
"created_at": "2022-09-04T14:44:23.492114Z",
"structure_string": "Li20 Si3 P3 S23 Cl1\n1.0\n8.783112 0.000000 0.000000\n0.000000 8.776288 0.000000\n0.000000 0.066439 12.751370\nLi Si P S Cl\n20 3 3 23 1\ndirect\n0.235685 0.766158 0.300566 Li\n0.770279 0.225410 0.291377 Li\n0.727360 0.734383 0.781961 Li\n0.270631 0.267507 0.788468 Li\n0.764315 0.766158 0.300566 Li\n0.229721 0.225410 0.291377 Li\n0.272640 0.734383 0.781961 Li\n0.729369 0.267507 0.788468 Li\n0.500000 0.001480 0.932496 Li\n0.500000 0.000760 0.452288 Li\n0.000000 0.504996 0.558354 Li\n0.000000 0.491894 0.039038 Li\n0.745381 0.747963 0.010084 Li\n0.248247 0.254053 0.020441 Li\n0.248823 0.730676 0.541960 Li\n0.750205 0.274015 0.541789 Li\n0.751177 0.730676 0.541960 Li\n0.249795 0.274015 0.541789 Li\n0.254619 0.747963 0.010084 Li\n0.751753 0.254053 0.020441 Li\n0.000000 0.499446 0.805315 Si\n0.000000 0.486193 0.317864 Si\n0.500000 0.001201 0.692696 Si\n0.500000 0.998481 0.186726 P\n0.000000 0.999670 0.499571 P\n0.500000 0.502003 0.006334 P\n0.805405 0.997531 0.408162 S\n0.194595 0.997531 0.408162 S\n0.500000 0.693853 0.910877 S\n0.500000 0.307238 0.915613 S\n0.307653 0.502543 0.096780 S\n0.692347 0.502543 0.096780 S\n0.000000 0.811064 0.594676 S\n0.000000 0.190935 0.590309 S\n0.696925 0.997547 0.097154 S\n0.303075 0.997547 0.097154 S\n0.500000 0.797806 0.598117 S\n0.500000 0.202304 0.595034 S\n0.204227 0.504681 0.403490 S\n0.795773 0.504681 0.403490 S\n0.000000 0.698563 0.904228 S\n0.000000 0.296873 0.902343 S\n0.302208 0.001042 0.789252 S\n0.697792 0.001042 0.789252 S\n0.500000 0.191367 0.276154 S\n0.500000 0.806353 0.278810 S\n0.803132 0.499784 0.705089 S\n0.196868 0.499784 0.705089 S\n0.000000 0.311400 0.207186 S\n0.000000 0.699529 0.217245 Cl\n",
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"P",
"S",
"Cl"
],
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"density_atomic": 0.05086907838612863,
"volume": 982.9153895902779,
"volume_molar": 11.838509662565784,
"formula_full": "Li20 Si3 P3 S23 Cl1",
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"spacegroup": 6
},
{
"id": "mp-1197735",
"created_at": "2022-09-04T14:44:24.271854Z",
"structure_string": "Sr2 U4 As4 O40\n1.0\n7.336540 0.000000 0.000000\n0.000000 7.324436 0.000000\n0.000000 2.284097 15.306160\nSr U As O\n2 4 4 40\ndirect\n0.824811 0.641296 0.263828 Sr\n0.175189 0.641296 0.763828 Sr\n0.255919 0.364572 0.574059 U\n0.744081 0.364572 0.074059 U\n0.254471 0.902912 0.954020 U\n0.745529 0.902912 0.454020 U\n0.244711 0.880082 0.517180 As\n0.755289 0.880082 0.017180 As\n0.756038 0.386923 0.508632 As\n0.243962 0.386923 0.008632 As\n0.257160 0.394845 0.455741 O\n0.742840 0.394845 0.955741 O\n0.254483 0.352173 0.695112 O\n0.745517 0.352173 0.195112 O\n0.254186 0.863609 0.072320 O\n0.745814 0.863609 0.572320 O\n0.253923 0.924026 0.833101 O\n0.746077 0.924026 0.333101 O\n0.254228 0.677074 0.591384 O\n0.745772 0.677074 0.091384 O\n0.230946 0.055099 0.580530 O\n0.769054 0.055099 0.080530 O\n0.054718 0.875065 0.453609 O\n0.945282 0.875065 0.953609 O\n0.435589 0.904915 0.453328 O\n0.564411 0.904915 0.953328 O\n0.945966 0.392296 0.573463 O\n0.054034 0.392296 0.073463 O\n0.562402 0.366838 0.571876 O\n0.437598 0.366838 0.071876 O\n0.768882 0.208860 0.448184 O\n0.231118 0.208860 0.948184 O\n0.748478 0.589769 0.434529 O\n0.251522 0.589769 0.934529 O\n0.517819 0.469223 0.294521 O\n0.482181 0.469223 0.794521 O\n0.179374 0.658450 0.311766 O\n0.820626 0.658450 0.811766 O\n0.951596 0.973903 0.206656 O\n0.048404 0.973903 0.706656 O\n0.045683 0.237189 0.308047 O\n0.954317 0.237189 0.808047 O\n0.190189 0.612358 0.237769 O\n0.809811 0.612358 0.737769 O\n0.503683 0.717172 0.214288 O\n0.496317 0.717172 0.714288 O\n0.202465 0.224423 0.271729 O\n0.797535 0.224423 0.771729 O\n0.252441 0.064428 0.256628 O\n0.747559 0.064428 0.756628 O\n",
"nsites": 50,
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"elements": [
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],
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"formula_full": "Sr2 U4 As4 O40",
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"updated_at": "2021-11-28T01:36:38.069000Z",
"spacegroup": 7
},
{
"id": "mp-1176345",
"created_at": "2022-09-04T14:44:17.565492Z",
"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n6.618824 0.000000 0.000000\n-0.080180 9.031417 0.000000\n-0.035565 -0.100547 10.526585\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.730576 0.921515 0.123540 Na\n0.737533 0.915312 0.640421 Na\n0.989440 0.740161 0.870381 Na\n0.999230 0.733022 0.382168 Na\n0.505298 0.730463 0.388476 Na\n0.010560 0.259839 0.129619 Na\n0.494702 0.269537 0.611524 Na\n0.000770 0.266978 0.617832 Na\n0.269424 0.078485 0.876460 Na\n0.262467 0.084688 0.359579 Na\n0.257728 0.643027 0.137019 Fe\n0.254838 0.658994 0.646807 Fe\n0.742272 0.356973 0.862981 Fe\n0.745162 0.341006 0.353193 Fe\n0.754018 0.576686 0.103155 P\n0.751982 0.584018 0.605293 P\n0.245982 0.423314 0.896845 P\n0.248018 0.415982 0.394707 P\n0.241632 0.923463 0.117856 C\n0.243518 0.949789 0.610752 C\n0.758368 0.076537 0.882144 C\n0.756482 0.050211 0.389248 C\n0.774149 0.937343 0.893255 O\n0.751834 0.907796 0.401677 O\n0.256840 0.859286 0.229538 O\n0.234575 0.890203 0.722497 O\n0.247089 0.833162 0.019967 O\n0.250041 0.863372 0.510320 O\n0.940947 0.678886 0.134828 O\n0.565169 0.671795 0.138279 O\n0.937041 0.681209 0.643849 O\n0.563086 0.679382 0.630460 O\n0.240401 0.569739 0.827409 O\n0.252562 0.564048 0.316563 O\n0.757328 0.544364 0.956034 O\n0.761474 0.544962 0.461587 O\n0.242672 0.455636 0.043966 O\n0.238526 0.455038 0.538413 O\n0.759599 0.430261 0.172591 O\n0.747438 0.435952 0.683437 O\n0.434831 0.328205 0.861721 O\n0.059053 0.321114 0.865172 O\n0.436914 0.320618 0.369540 O\n0.062959 0.318791 0.356151 O\n0.752911 0.166838 0.980033 O\n0.749959 0.136628 0.489680 O\n0.743160 0.140714 0.770462 O\n0.765425 0.109797 0.277503 O\n0.225851 0.062657 0.106745 O\n0.248166 0.092204 0.598323 O\n",
"nsites": 50,
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"elements": [
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"C",
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],
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"density": 2.832076773060265,
"density_atomic": 0.07945949025096634,
"volume": 629.25145683768,
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"formula_full": "Na10 Fe4 P4 C4 O28",
"formula_reduced": "Na5Fe2P2(CO7)2",
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},
{
"id": "mp-1350121",
"created_at": "2022-09-04T14:43:59.238351Z",
"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.764318 0.000000 0.000000\n-1.918193 9.085798 0.000000\n-1.918680 -4.655413 7.817161\nLi V P H O\n2 4 8 4 32\ndirect\n0.357285 0.630140 0.907875 Li\n0.852753 0.870440 0.290310 Li\n0.499735 0.010794 0.745508 V\n0.990081 0.500514 0.000734 V\n0.003335 0.491878 0.504975 V\n0.487921 0.001835 0.248764 V\n0.268859 0.355976 0.392454 P\n0.265242 0.349875 0.893967 P\n0.231670 0.843679 0.510217 P\n0.229050 0.856704 0.997823 P\n0.766854 0.147636 0.497817 P\n0.763332 0.153703 0.992067 P\n0.732828 0.646992 0.602413 P\n0.732926 0.659589 0.102739 P\n0.510424 0.508114 0.735207 H\n0.492547 0.494611 0.259304 H\n0.989021 0.009465 0.507888 H\n0.999730 0.000125 0.999650 H\n0.052052 0.949030 0.937509 O\n0.340076 0.951047 0.872416 O\n0.629952 0.180264 0.816376 O\n0.681263 0.835093 0.946297 O\n0.158174 0.444173 0.930923 O\n0.159338 0.446636 0.428598 O\n0.317405 0.177150 0.541581 O\n0.362079 0.829245 0.684409 O\n0.439566 0.451970 0.868130 O\n0.443773 0.458345 0.361099 O\n0.656159 0.058802 0.623083 O\n0.818308 0.326745 0.466943 O\n0.824291 0.332534 0.978352 O\n0.056587 0.946402 0.429881 O\n0.131077 0.322305 0.745042 O\n0.131955 0.347114 0.228385 O\n0.863852 0.661725 0.763716 O\n0.863266 0.674800 0.262029 O\n0.942988 0.043097 0.574333 O\n0.184212 0.666990 0.531099 O\n0.183108 0.678682 0.010988 O\n0.352418 0.935051 0.386408 O\n0.553152 0.551579 0.628983 O\n0.558529 0.555154 0.125578 O\n0.633739 0.154421 0.325424 O\n0.684040 0.823751 0.438829 O\n0.844342 0.552782 0.572273 O\n0.853565 0.568166 0.070363 O\n0.324960 0.169672 0.059351 O\n0.366749 0.840645 0.173970 O\n0.659894 0.056956 0.124951 O\n0.939394 0.051353 0.067927 O\n",
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"spacegroup": 1
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{
"id": "mp-1180640",
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"structure_string": "Na2 Zn4 P6 O38\n1.0\n8.451101 0.000000 0.000000\n-3.539558 9.815572 0.000000\n-2.094368 -2.653261 10.293552\nNa Zn P O\n2 4 6 38\ndirect\n0.623340 0.001711 0.847040 Na\n0.376660 0.998289 0.152960 Na\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.241557 0.507555 0.952468 Zn\n0.758443 0.492445 0.047532 Zn\n0.051515 0.712909 0.937557 P\n0.948485 0.287091 0.062443 P\n0.734581 0.716750 0.772453 P\n0.265419 0.283250 0.227547 P\n0.494367 0.445164 0.787067 P\n0.505633 0.554836 0.212933 P\n0.129239 0.876458 0.987289 O\n0.870761 0.123542 0.012711 O\n0.188937 0.664423 0.898854 O\n0.811063 0.335577 0.101146 O\n0.037063 0.354879 0.967849 O\n0.962937 0.645121 0.032151 O\n0.904145 0.677858 0.799036 O\n0.095855 0.322142 0.200964 O\n0.782681 0.867459 0.849635 O\n0.217319 0.132541 0.150365 O\n0.661568 0.688924 0.628502 O\n0.338432 0.311076 0.371498 O\n0.599406 0.620508 0.835998 O\n0.400594 0.379492 0.164002 O\n0.608679 0.388172 0.870807 O\n0.391321 0.611828 0.129193 O\n0.318917 0.420631 0.816370 O\n0.681083 0.579369 0.183630 O\n0.482217 0.402174 0.643555 O\n0.517783 0.597826 0.356445 O\n0.256756 0.103408 0.842692 O\n0.743244 0.896592 0.157308 O\n0.208958 0.533009 0.474343 O\n0.791042 0.466991 0.525657 O\n0.292348 0.893281 0.722592 O\n0.707652 0.106719 0.277408 O\n0.603967 0.040724 0.609095 O\n0.396033 0.959276 0.390905 O\n0.394011 0.090802 0.888747 O\n0.605989 0.909198 0.111253 O\n0.978860 0.373763 0.594221 O\n0.021140 0.626237 0.405779 O\n0.820608 0.356525 0.544804 O\n0.179392 0.643475 0.455196 O\n0.164863 0.924252 0.691430 O\n0.835137 0.075748 0.308570 O\n0.363026 0.023410 0.482321 O\n0.636974 0.976590 0.517679 O\n",
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"formula_full": "Na2 Zn4 P6 O38",
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{
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"structure_string": "K4 Mg2 H16 S4 O24\n1.0\n5.924508 5.474058 0.060088\n5.924508 -5.474058 0.060088\n-0.998330 0.000000 -9.754086\nK Mg H S O\n4 2 16 4 24\ndirect\n0.099488 0.540234 0.295779 K\n0.533403 0.116870 0.294325 K\n0.883130 0.466597 0.705675 K\n0.459766 0.900512 0.704221 K\n0.003541 0.996459 0.000000 Mg\n0.504112 0.495888 0.000000 Mg\n0.190763 0.693970 0.951164 H\n0.717366 0.192754 0.933645 H\n0.807246 0.282634 0.066355 H\n0.306030 0.809237 0.048836 H\n0.141952 0.687927 0.632268 H\n0.696583 0.141663 0.630606 H\n0.858337 0.303417 0.369394 H\n0.312073 0.858048 0.367732 H\n0.939605 0.931153 0.256009 H\n0.068847 0.060395 0.743991 H\n0.953072 0.911586 0.719038 H\n0.088414 0.046928 0.280962 H\n0.283776 0.541851 0.630627 H\n0.543258 0.273088 0.630464 H\n0.726912 0.456742 0.369536 H\n0.458149 0.716224 0.369373 H\n0.787165 0.789800 0.476260 S\n0.210200 0.212835 0.523740 S\n0.296083 0.302297 0.007879 S\n0.697703 0.703917 0.992121 S\n0.248720 0.649175 0.679311 O\n0.648930 0.240268 0.683956 O\n0.759732 0.351070 0.316044 O\n0.350825 0.751280 0.320689 O\n0.825086 0.820473 0.987227 O\n0.179527 0.174914 0.012773 O\n0.352723 0.378376 0.148707 O\n0.621624 0.647277 0.851293 O\n0.195185 0.804815 0.000000 O\n0.814486 0.185514 0.000000 O\n0.988164 0.000270 0.789716 O\n0.999730 0.011836 0.210284 O\n0.230415 0.447882 0.927944 O\n0.456688 0.238125 0.946685 O\n0.761875 0.543312 0.053315 O\n0.552118 0.769585 0.072056 O\n0.347067 0.328826 0.528006 O\n0.671174 0.652933 0.471994 O\n0.861372 0.788234 0.342341 O\n0.211766 0.138628 0.657659 O\n0.923358 0.760416 0.588538 O\n0.692527 0.952448 0.508878 O\n0.047552 0.307473 0.491122 O\n0.239584 0.076642 0.411462 O\n",
"nsites": 50,
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"formula_full": "K4 Mg2 H16 S4 O24",
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