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{
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"structure_string": "U4 H72 C16 Se8 N8 O44\n1.0\n7.629486 0.000000 0.000000\n0.000000 12.424223 0.000000\n0.000000 0.000000 17.467790\nU H C Se N O\n4 72 16 8 8 44\ndirect\n0.887646 0.150363 0.256651 U\n0.612354 0.849637 0.756651 U\n0.387646 0.349637 0.743349 U\n0.112354 0.650363 0.243349 U\n0.505498 0.086174 0.230146 H\n0.994502 0.913826 0.730146 H\n0.005498 0.413826 0.769854 H\n0.494502 0.586174 0.269854 H\n0.504438 0.212799 0.228821 H\n0.995562 0.787201 0.728821 H\n0.004438 0.287201 0.771179 H\n0.495562 0.712799 0.271179 H\n0.727090 0.052364 0.046984 H\n0.772910 0.947636 0.546984 H\n0.227090 0.447636 0.953016 H\n0.272910 0.552364 0.453016 H\n0.579387 0.961275 0.999409 H\n0.920613 0.038725 0.499409 H\n0.079387 0.538725 0.000591 H\n0.420613 0.461275 0.500591 H\n0.808585 0.947487 0.985852 H\n0.691415 0.052513 0.485852 H\n0.308585 0.552513 0.014148 H\n0.191415 0.447487 0.514148 H\n0.687575 0.733350 0.125235 H\n0.812425 0.266650 0.625235 H\n0.187575 0.766650 0.874765 H\n0.312425 0.233350 0.374765 H\n0.738114 0.756027 0.025668 H\n0.761886 0.243973 0.525668 H\n0.238114 0.743973 0.974332 H\n0.261886 0.256027 0.474332 H\n0.523883 0.785194 0.061405 H\n0.976117 0.214806 0.561405 H\n0.023883 0.714806 0.938595 H\n0.476117 0.285194 0.438595 H\n0.156744 0.867376 0.392473 H\n0.343256 0.132624 0.892473 H\n0.656744 0.632624 0.607527 H\n0.843256 0.367376 0.107527 H\n0.376305 0.851210 0.379669 H\n0.123695 0.148790 0.879669 H\n0.876305 0.648790 0.620331 H\n0.623695 0.351210 0.120331 H\n0.220488 0.033109 0.465031 H\n0.279512 0.966891 0.965031 H\n0.720488 0.466891 0.534969 H\n0.779512 0.533109 0.034969 H\n0.278021 0.035819 0.365109 H\n0.221979 0.964181 0.865109 H\n0.778021 0.464181 0.634891 H\n0.721979 0.535819 0.134891 H\n0.443405 0.015661 0.437139 H\n0.056595 0.984339 0.937139 H\n0.943405 0.484339 0.562861 H\n0.556595 0.515661 0.062861 H\n0.183598 0.855367 0.528020 H\n0.316402 0.144633 0.028020 H\n0.683598 0.644633 0.471980 H\n0.816402 0.355367 0.971980 H\n0.416379 0.849042 0.519593 H\n0.083621 0.150958 0.019593 H\n0.916379 0.650958 0.480407 H\n0.583621 0.349042 0.980407 H\n0.284376 0.740800 0.483995 H\n0.215624 0.259200 0.983995 H\n0.784376 0.759200 0.516005 H\n0.715624 0.240800 0.016005 H\n0.847303 0.897792 0.114463 H\n0.652697 0.102208 0.614463 H\n0.347303 0.602208 0.885537 H\n0.152697 0.397792 0.385537 H\n0.635097 0.925179 0.136421 H\n0.864903 0.074821 0.636421 H\n0.135097 0.574821 0.863579 H\n0.364903 0.425179 0.363579 H\n0.707016 0.969971 0.026974 C\n0.792984 0.030029 0.526974 C\n0.207016 0.530029 0.973026 C\n0.292984 0.469971 0.473026 C\n0.663843 0.784416 0.075331 C\n0.836157 0.215584 0.575331 C\n0.163843 0.715584 0.924669 C\n0.336157 0.284416 0.424669 C\n0.307219 0.000348 0.420970 C\n0.192781 0.999652 0.920970 C\n0.807219 0.499652 0.579030 C\n0.692781 0.500348 0.079030 C\n0.292235 0.827860 0.492039 C\n0.207765 0.172140 0.992039 C\n0.792235 0.672140 0.507961 C\n0.707765 0.327860 0.007961 C\n0.786827 0.857260 0.313753 Se\n0.713173 0.142740 0.813753 Se\n0.286827 0.642740 0.686247 Se\n0.213173 0.357260 0.186247 Se\n0.211994 0.940085 0.185257 Se\n0.288006 0.059915 0.685257 Se\n0.711994 0.559915 0.814743 Se\n0.788006 0.440085 0.314743 Se\n0.280533 0.882041 0.416185 N\n0.219467 0.117959 0.916185 N\n0.780533 0.617959 0.583815 N\n0.719467 0.382041 0.083815 N\n0.718113 0.896268 0.093887 N\n0.781887 0.103732 0.593887 N\n0.218113 0.603732 0.906113 N\n0.281887 0.396268 0.406113 N\n0.862197 0.152078 0.153158 O\n0.637803 0.847922 0.653158 O\n0.362197 0.347922 0.846842 O\n0.137803 0.652078 0.346842 O\n0.913446 0.150297 0.359620 O\n0.586554 0.849703 0.859620 O\n0.413446 0.349703 0.640380 O\n0.086554 0.650297 0.140380 O\n0.762351 0.972529 0.262962 O\n0.737649 0.027471 0.762962 O\n0.262351 0.527471 0.737038 O\n0.237649 0.472529 0.237038 O\n0.589439 0.811647 0.338409 O\n0.910561 0.188353 0.838409 O\n0.089439 0.688353 0.661591 O\n0.410561 0.311647 0.161591 O\n0.869424 0.768126 0.249533 O\n0.630576 0.231874 0.749533 O\n0.369424 0.731874 0.750467 O\n0.130576 0.268126 0.250467 O\n0.917204 0.873966 0.388356 O\n0.582796 0.126034 0.888356 O\n0.417204 0.626034 0.611644 O\n0.082796 0.373966 0.111644 O\n0.127076 0.032559 0.246390 O\n0.372924 0.967441 0.746390 O\n0.627076 0.467441 0.753610 O\n0.872924 0.532559 0.253610 O\n0.083662 0.919649 0.110341 O\n0.416338 0.080351 0.610341 O\n0.583662 0.580351 0.889659 O\n0.916338 0.419649 0.389659 O\n0.233759 0.827391 0.239148 O\n0.266241 0.172609 0.739148 O\n0.733759 0.672609 0.760852 O\n0.766241 0.327391 0.260852 O\n0.410346 0.983890 0.160960 O\n0.089654 0.016110 0.660960 O\n0.910346 0.516110 0.839040 O\n0.589654 0.483890 0.339040 O\n0.555354 0.150074 0.256193 O\n0.944646 0.849926 0.756193 O\n0.055354 0.349926 0.743807 O\n0.444646 0.650074 0.243807 O\n",
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"elements": [
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"formula_full": "U4 H72 C16 Se8 N8 O44",
"formula_reduced": "UH18C4Se2N2O11",
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"updated_at": "2021-11-28T01:37:49.217000Z",
"spacegroup": 19
},
{
"id": "mp-743624",
"created_at": "2022-09-04T14:47:03.586324Z",
"structure_string": "Ca5 Dy1 Ti5 Fe1 Si6 O30\n1.0\n5.511095 0.000000 0.000000\n2.280463 7.160313 0.000000\n1.218471 0.447283 14.449874\nCa Dy Ti Fe Si O\n5 1 5 1 6 30\ndirect\n0.067649 0.103319 0.638183 Ca\n0.395300 0.775793 0.972589 Ca\n0.602150 0.226796 0.025114 Ca\n0.935963 0.895095 0.364849 Ca\n0.270905 0.557214 0.693500 Ca\n0.728657 0.443106 0.307884 Dy\n0.662263 0.843114 0.168346 Ti\n0.994008 0.505604 0.000306 Ti\n0.006386 0.493898 0.500579 Ti\n0.331869 0.168430 0.833720 Ti\n0.666433 0.832333 0.665904 Ti\n0.333649 0.164643 0.334948 Fe\n0.066957 0.111400 0.144487 Si\n0.406698 0.770534 0.476197 Si\n0.262683 0.556240 0.189980 Si\n0.741075 0.439388 0.809451 Si\n0.597082 0.227845 0.523287 Si\n0.925411 0.894371 0.855941 Si\n0.434880 0.685774 0.222269 O\n0.738505 0.690330 0.059890 O\n0.769959 0.353927 0.556798 O\n0.931157 0.315299 0.094581 O\n0.038985 0.141909 0.257175 O\n0.962030 0.637990 0.232302 O\n0.061888 0.361807 0.392514 O\n0.100475 0.021917 0.885846 O\n0.267191 0.978150 0.432018 O\n0.367510 0.017605 0.104627 O\n0.398303 0.787559 0.589791 O\n0.273756 0.539437 0.076479 O\n0.297520 0.317261 0.564980 O\n0.416603 0.353352 0.237619 O\n0.410241 0.022910 0.725672 O\n0.601448 0.967981 0.274741 O\n0.605434 0.645549 0.761060 O\n0.701445 0.672892 0.430513 O\n0.725213 0.462227 0.922781 O\n0.614175 0.219565 0.409211 O\n0.628292 0.985820 0.899042 O\n0.730721 0.017930 0.567729 O\n0.900073 0.977670 0.113844 O\n0.929451 0.646578 0.604338 O\n0.038632 0.347261 0.767204 O\n0.940479 0.872685 0.742573 O\n0.062881 0.687687 0.904028 O\n0.235454 0.640365 0.445061 O\n0.256798 0.309850 0.939514 O\n0.565362 0.311590 0.780535 O\n",
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],
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"formula_full": "Ca5 Dy1 Ti5 Fe1 Si6 O30",
"formula_reduced": "Ca5DyTi5Fe(SiO5)6",
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"energy": -406.8053512099999,
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{
"id": "mp-1234730",
"created_at": "2022-09-04T14:47:03.717349Z",
"structure_string": "Mg1 Co6 Ag2 P6 H4 O24\n1.0\n6.118111 0.099153 -1.864681\n-2.238709 8.912141 0.418914\n0.171792 0.703254 9.049065\nMg Co Ag P H O\n1 6 2 6 4 24\ndirect\n0.485321 0.488087 0.719282 Mg\n0.332786 0.772517 0.339738 Co\n0.824390 0.655427 0.977526 Co\n0.102005 0.864738 0.557968 Co\n0.318030 0.388926 0.064454 Co\n0.878063 0.133350 0.449739 Co\n0.731042 0.220711 0.748532 Co\n0.234022 0.481473 0.416987 Ag\n0.667608 0.562992 0.456939 Ag\n0.229996 0.160500 0.811222 P\n0.789617 0.854526 0.217649 P\n0.373101 0.149838 0.384696 P\n0.057014 0.574790 0.785616 P\n0.637314 0.858465 0.666209 P\n0.848609 0.369001 0.138290 P\n0.319137 0.061717 0.161765 H\n0.184033 0.904355 0.859319 H\n0.720019 0.931081 0.904024 H\n0.795273 0.127641 0.122382 H\n0.258700 0.495546 0.843177 O\n0.087126 0.703026 0.892693 O\n0.680726 0.978871 0.791920 O\n0.788347 0.224058 0.043659 O\n0.345274 0.288117 0.279410 O\n0.044128 0.641006 0.619702 O\n0.635546 0.707659 0.759343 O\n0.865163 0.325300 0.309215 O\n0.188989 0.093793 0.470526 O\n0.358642 0.020961 0.270243 O\n0.801244 0.843532 0.049066 O\n0.808318 0.020541 0.243415 O\n0.244217 0.175836 0.980312 O\n0.235431 0.989399 0.790054 O\n0.564154 0.760355 0.237814 O\n0.988178 0.790869 0.326865 O\n0.433659 0.256745 0.758966 O\n0.813269 0.907679 0.574059 O\n0.834077 0.456938 0.788014 O\n0.601136 0.166259 0.504311 O\n0.065692 0.470903 0.113484 O\n0.410966 0.857587 0.551246 O\n0.661914 0.462570 0.069163 O\n0.017723 0.200752 0.701004 O\n",
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"density": 3.8819527515412724,
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"formula_full": "Mg1 Co6 Ag2 P6 H4 O24",
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},
{
"id": "mp-1227705",
"created_at": "2022-09-04T14:47:06.912568Z",
"structure_string": "Ba1 Sr1 Ca1 Mg1 Si2 O8\n1.0\n2.765835 -4.790567 0.000000\n2.765835 4.790567 0.000000\n0.000000 0.000000 6.990930\nBa Sr Ca Mg Si O\n1 1 1 1 2 8\ndirect\n0.333333 0.666667 0.499039 Ba\n0.666667 0.333333 0.840771 Sr\n0.000000 0.000000 0.167471 Ca\n0.333333 0.666667 0.000004 Mg\n0.666667 0.333333 0.272328 Si\n0.000000 0.000000 0.726130 Si\n0.666667 0.333333 0.502616 O\n0.000000 0.000000 0.492783 O\n0.507967 0.492033 0.177766 O\n0.507967 0.015934 0.177766 O\n0.984066 0.492033 0.177766 O\n0.158151 0.841849 0.821856 O\n0.158151 0.316302 0.821856 O\n0.683698 0.841849 0.821856 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ba-Ca-Mg-O-Si-Sr",
"density": 4.244118092390443,
"density_atomic": 0.07557008311487749,
"volume": 185.258496787915,
"volume_molar": 7.96894817602023,
"formula_full": "Ba1 Sr1 Ca1 Mg1 Si2 O8",
"formula_reduced": "BaSrCaMg(SiO4)2",
"formula_anonymous": "ABCDE2F8",
"energy": -104.79500374,
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"updated_at": "2021-11-28T01:37:58.730000Z",
"spacegroup": 156
},
{
"id": "mp-1197601",
"created_at": "2022-09-04T14:47:16.361358Z",
"structure_string": "Rb4 Mg1 Fe8 H6 Se16 O50\n1.0\n7.852262 0.000000 0.000000\n0.694527 10.492346 0.000000\n0.380934 3.484892 15.745043\nRb Mg Fe H Se O\n4 1 8 6 16 50\ndirect\n0.517036 0.696879 0.261411 Rb\n0.482964 0.303121 0.738589 Rb\n0.906156 0.696033 0.837304 Rb\n0.093844 0.303967 0.162696 Rb\n0.500000 0.000000 0.500000 Mg\n0.591821 0.259396 0.306991 Fe\n0.408179 0.740604 0.693009 Fe\n0.749609 0.647959 0.519684 Fe\n0.250391 0.352041 0.480316 Fe\n0.548357 0.749277 0.997658 Fe\n0.451643 0.250723 0.002342 Fe\n0.977200 0.097053 0.770272 Fe\n0.022800 0.902947 0.229728 Fe\n0.212965 0.618232 0.097053 H\n0.787035 0.381768 0.902947 H\n0.003223 0.718095 0.613557 H\n0.996777 0.281905 0.386443 H\n0.815906 0.781291 0.638584 H\n0.184094 0.218709 0.361416 H\n0.552063 0.460736 0.118801 Se\n0.447937 0.539264 0.881199 Se\n0.806466 0.944190 0.399591 Se\n0.193534 0.055810 0.600409 Se\n0.688740 0.031475 0.933873 Se\n0.311260 0.968525 0.066127 Se\n0.964490 0.380605 0.636020 Se\n0.035510 0.619395 0.363980 Se\n0.675739 0.375472 0.454297 Se\n0.324261 0.624528 0.545703 Se\n0.715779 0.104086 0.151030 Se\n0.284221 0.895914 0.848970 Se\n0.667011 0.986292 0.682053 Se\n0.332989 0.013708 0.317947 Se\n0.958175 0.750896 0.081492 Se\n0.041825 0.249104 0.918508 Se\n0.510409 0.427147 0.227506 O\n0.489591 0.572853 0.772494 O\n0.445642 0.615424 0.094571 O\n0.554358 0.384576 0.905429 O\n0.402240 0.376695 0.079306 O\n0.597760 0.623305 0.920694 O\n0.663875 0.833385 0.454745 O\n0.336125 0.166615 0.545255 O\n0.655839 0.077511 0.392369 O\n0.344161 0.922489 0.607631 O\n0.800255 0.910205 0.299879 O\n0.199745 0.089795 0.700121 O\n0.488139 0.115320 0.929383 O\n0.511861 0.884680 0.070617 O\n0.642987 0.889922 0.902738 O\n0.357013 0.110078 0.097262 O\n0.769914 0.123347 0.840752 O\n0.230086 0.876653 0.159248 O\n0.862191 0.242362 0.681801 O\n0.137809 0.757638 0.318199 O\n0.026513 0.342989 0.539030 O\n0.973487 0.657011 0.460970 O\n0.785619 0.481768 0.606154 O\n0.214381 0.518232 0.393846 O\n0.657016 0.545165 0.435273 O\n0.342984 0.454835 0.564727 O\n0.783707 0.342695 0.364746 O\n0.216293 0.657305 0.635254 O\n0.481719 0.335402 0.415513 O\n0.518281 0.664598 0.584487 O\n0.740491 0.218139 0.214702 O\n0.259509 0.781861 0.785298 O\n0.689916 0.209399 0.052411 O\n0.310084 0.790601 0.947589 O\n0.926896 0.054022 0.138128 O\n0.073104 0.945978 0.861872 O\n0.691605 0.018461 0.575107 O\n0.308395 0.981539 0.424893 O\n0.877329 0.964406 0.714836 O\n0.122671 0.035594 0.285164 O\n0.628650 0.817645 0.705927 O\n0.371350 0.182355 0.294073 O\n0.787117 0.686060 0.047347 O\n0.212883 0.313940 0.952653 O\n0.894431 0.768687 0.180870 O\n0.105569 0.231313 0.819130 O\n0.089068 0.599574 0.106602 O\n0.910932 0.400426 0.893398 O\n0.883163 0.745001 0.595817 O\n0.116837 0.254999 0.404183 O\n",
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Br\n0.483244 0.646048 0.903251 Br\n0.682762 0.899592 0.505965 N\n0.317238 0.100408 0.005965 N\n0.399592 0.817238 0.755965 N\n0.600408 0.182762 0.255965 N\n0.100408 0.317238 0.994035 N\n0.899592 0.682762 0.494035 N\n0.817238 0.399592 0.244035 N\n0.182762 0.600408 0.744035 N\n0.604383 0.981562 0.622055 N\n0.395617 0.018438 0.122055 N\n0.481562 0.895617 0.872055 N\n0.518438 0.104383 0.372055 N\n0.018438 0.395617 0.877945 N\n0.981562 0.604383 0.377945 N\n0.895617 0.481562 0.127945 N\n0.104383 0.518438 0.627945 N\n0.347144 0.763603 0.085585 N\n0.652856 0.236397 0.585585 N\n0.263603 0.152856 0.335585 N\n0.736397 0.847144 0.835585 N\n0.236397 0.652856 0.414415 N\n0.763603 0.347144 0.914415 N\n0.152856 0.263603 0.664415 N\n0.847144 0.736397 0.164415 N\n0.500399 0.731896 0.131245 N\n0.499601 0.268104 0.631245 N\n0.231896 0.999601 0.381245 N\n0.768104 0.000399 0.881245 N\n0.268104 0.499601 0.368755 N\n0.731896 0.500399 0.868755 N\n0.999601 0.231896 0.618755 N\n0.000399 0.768104 0.118755 N\n0.507581 0.615767 0.360116 N\n0.492419 0.384233 0.860116 N\n0.115767 0.992419 0.610116 N\n0.884233 0.007581 0.110116 N\n0.384233 0.492419 0.139884 N\n0.615767 0.507581 0.639884 N\n0.992419 0.115767 0.389884 N\n0.007581 0.884233 0.889884 N\n0.658377 0.560818 0.386821 N\n0.341623 0.439182 0.886821 N\n0.060818 0.841623 0.636821 N\n0.939182 0.158377 0.136821 N\n0.439182 0.341623 0.113179 N\n0.560818 0.658377 0.613179 N\n0.841623 0.060818 0.363179 N\n0.158377 0.939182 0.863179 N\n",
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},
{
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"structure_string": "Na2 Li4 Ti3 Al1 P6 O24\n1.0\n8.764117 0.000000 0.000000\n4.365230 7.618357 0.000000\n4.373982 2.506356 7.190717\nNa Li Ti Al P O\n2 4 3 1 6 24\ndirect\n0.987707 0.991124 0.001132 Na\n0.504107 0.501293 0.509339 Na\n0.746745 0.346999 0.158339 Li\n0.252160 0.657984 0.849167 Li\n0.251531 0.847526 0.241056 Li\n0.251627 0.240267 0.660341 Li\n0.930681 0.354584 0.362836 Ti\n0.565558 0.138693 0.146973 Ti\n0.054252 0.650521 0.648004 Ti\n0.449138 0.850435 0.848550 Al\n0.747154 0.460148 0.752544 P\n0.744648 0.746901 0.043202 P\n0.745725 0.041795 0.462514 P\n0.252439 0.959997 0.548065 P\n0.246113 0.240837 0.963584 P\n0.257946 0.544109 0.239827 P\n0.932452 0.702582 0.884231 O\n0.932284 0.886333 0.481521 O\n0.933284 0.485032 0.699856 O\n0.745237 0.284265 0.928239 O\n0.748063 0.435716 0.590379 O\n0.572590 0.628669 0.795722 O\n0.738284 0.907353 0.075749 O\n0.742589 0.569001 0.216519 O\n0.741658 0.230514 0.438948 O\n0.425410 0.987538 0.379778 O\n0.265782 0.929485 0.734051 O\n0.415055 0.212463 0.997134 O\n0.571783 0.799276 0.997597 O\n0.744795 0.071535 0.273251 O\n0.571606 0.001761 0.627425 O\n0.244667 0.770787 0.581136 O\n0.242349 0.403325 0.774437 O\n0.263738 0.070138 0.933332 O\n0.437654 0.377349 0.209690 O\n0.245365 0.580558 0.403619 O\n0.268298 0.728763 0.070516 O\n0.087076 0.512785 0.269267 O\n0.078249 0.127410 0.522973 O\n0.064196 0.275150 0.128156 O\n",
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},
{
"id": "mp-560589",
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"structure_string": "Nb4 Se8 S4 N8 Cl4 F24\n1.0\n8.543657 0.000000 0.000000\n0.000000 10.677697 0.000000\n0.000000 6.700667 11.968352\nNb Se S N Cl F\n4 8 4 8 4 24\ndirect\n0.191110 0.764961 0.322108 Nb\n0.808890 0.235039 0.677892 Nb\n0.691110 0.235039 0.177892 Nb\n0.308890 0.764961 0.822108 Nb\n0.176835 0.301621 0.977350 Se\n0.095809 0.319170 0.364023 Se\n0.595809 0.680830 0.135977 Se\n0.676835 0.698379 0.522650 Se\n0.323165 0.301621 0.477350 Se\n0.904191 0.680830 0.635977 Se\n0.404191 0.319170 0.864023 Se\n0.823165 0.698379 0.022650 Se\n0.229318 0.050994 0.950046 S\n0.729318 0.949006 0.549954 S\n0.270682 0.050994 0.450046 S\n0.770682 0.949006 0.049954 S\n0.118289 0.140096 0.389010 N\n0.624095 0.870638 0.503968 N\n0.881711 0.859904 0.610990 N\n0.381711 0.140096 0.889010 N\n0.875905 0.870638 0.003968 N\n0.618289 0.859904 0.110990 N\n0.375905 0.129362 0.496032 N\n0.124095 0.129362 0.996032 N\n0.812292 0.547474 0.813035 Cl\n0.687708 0.547474 0.313035 Cl\n0.312292 0.452526 0.686965 Cl\n0.187708 0.452526 0.186965 Cl\n0.653294 0.445295 0.102360 F\n0.763356 0.034021 0.748687 F\n0.489418 0.205464 0.248333 F\n0.010582 0.205464 0.748333 F\n0.285189 0.752928 0.198515 F\n0.594383 0.225196 0.052832 F\n0.714811 0.247072 0.801485 F\n0.094383 0.774804 0.447168 F\n0.390821 0.719288 0.399876 F\n0.153294 0.554705 0.397640 F\n0.609179 0.280712 0.600124 F\n0.736644 0.034021 0.248687 F\n0.346706 0.554705 0.897640 F\n0.989418 0.794536 0.251667 F\n0.109179 0.719288 0.899876 F\n0.785189 0.247072 0.301485 F\n0.236644 0.965979 0.251313 F\n0.846706 0.445295 0.602360 F\n0.510582 0.794536 0.751667 F\n0.905617 0.225196 0.552832 F\n0.890821 0.280712 0.100124 F\n0.263356 0.965979 0.751313 F\n0.405617 0.774804 0.947168 F\n0.214811 0.752928 0.698515 F\n",
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"formula_full": "Nb4 Se8 S4 N8 Cl4 F24",
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"spacegroup": 14
},
{
"id": "mp-772483",
"created_at": "2022-09-04T14:47:03.868261Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.767011 0.000000 0.000000\n-0.100429 8.982738 0.000000\n-0.062073 -0.006646 10.374923\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.243941 0.917431 0.629037 Na\n0.247942 0.916382 0.130504 Na\n0.498365 0.742214 0.373705 Na\n0.000929 0.741642 0.873718 Na\n0.499028 0.740856 0.873314 Na\n0.501635 0.257786 0.626295 Na\n0.500972 0.259144 0.126686 Na\n0.999071 0.258358 0.126282 Na\n0.756059 0.082569 0.370963 Na\n0.752058 0.083618 0.869496 Na\n0.012129 0.729891 0.368914 Li\n0.987871 0.270109 0.631086 Li\n0.750188 0.638816 0.636843 Mn\n0.752768 0.638064 0.141821 Mn\n0.249812 0.361184 0.363157 Mn\n0.247232 0.361936 0.858179 Mn\n0.241630 0.587432 0.598553 P\n0.250561 0.588291 0.103176 P\n0.758370 0.412568 0.401447 P\n0.749439 0.411709 0.896824 P\n0.757907 0.944084 0.617257 C\n0.751000 0.939354 0.118398 C\n0.242093 0.055916 0.382743 C\n0.249000 0.060646 0.881602 C\n0.230799 0.911541 0.392392 O\n0.252468 0.916576 0.892566 O\n0.750562 0.880751 0.730331 O\n0.752796 0.877239 0.231443 O\n0.752798 0.860289 0.514708 O\n0.752930 0.855684 0.015603 O\n0.064862 0.681516 0.645246 O\n0.432470 0.673219 0.640341 O\n0.069128 0.680216 0.147517 O\n0.436921 0.680568 0.143127 O\n0.234361 0.577339 0.447697 O\n0.765803 0.574032 0.346003 O\n0.246217 0.571123 0.953031 O\n0.749039 0.569349 0.836468 O\n0.234197 0.425968 0.653997 O\n0.765639 0.422661 0.552303 O\n0.250961 0.430651 0.163532 O\n0.753783 0.428877 0.046969 O\n0.567530 0.326781 0.359659 O\n0.935138 0.318484 0.354754 O\n0.563079 0.319432 0.856873 O\n0.930872 0.319784 0.852483 O\n0.247202 0.139711 0.485292 O\n0.247070 0.144316 0.984397 O\n0.249438 0.119249 0.269669 O\n0.247204 0.122761 0.768557 O\n0.769201 0.088459 0.607608 O\n0.747532 0.083424 0.107434 O\n",
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"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
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}
]
}