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{
"id": "mp-1076195",
"created_at": "2022-09-04T14:39:34.708472Z",
"structure_string": "K16 Na16 Mo16 W16 O80\n1.0\n0.004384 0.018944 11.547209\n11.723156 0.022107 0.004645\n-5.834109 15.514067 -5.750277\nK Na Mo W O\n16 16 16 16 80\ndirect\n0.305327 0.067154 0.108637 K\n0.302238 0.559809 0.106232 K\n0.805964 0.062823 0.110191 K\n0.804170 0.560835 0.107755 K\n0.201788 0.935493 0.394028 K\n0.192501 0.928948 0.882281 K\n0.702596 0.437686 0.396995 K\n0.692660 0.429433 0.884451 K\n0.701214 0.934282 0.394815 K\n0.058472 0.294108 0.109759 K\n0.053088 0.791061 0.105243 K\n0.554215 0.291710 0.107845 K\n0.553808 0.794201 0.104940 K\n0.452164 0.712737 0.395697 K\n0.440647 0.705753 0.882528 K\n0.941871 0.703573 0.882110 K\n0.298799 0.070083 0.602949 Na\n0.300446 0.563046 0.599502 Na\n0.802107 0.066524 0.602800 Na\n0.797652 0.567312 0.600727 Na\n0.202794 0.439005 0.406154 Na\n0.198678 0.434812 0.897594 Na\n0.697189 0.934459 0.896172 Na\n0.051085 0.282311 0.602221 Na\n0.049592 0.785931 0.599873 Na\n0.550108 0.285083 0.601446 Na\n0.551728 0.784821 0.601314 Na\n0.454306 0.216337 0.407949 Na\n0.448498 0.211450 0.897223 Na\n0.952471 0.218843 0.406480 Na\n0.947271 0.212085 0.896782 Na\n0.950820 0.717754 0.404485 Na\n0.006069 0.998396 0.995903 Mo\n0.015616 0.002120 0.504499 Mo\n0.003017 0.495150 0.994344 Mo\n0.014760 0.502298 0.502284 Mo\n0.504246 0.997867 0.993815 Mo\n0.514355 0.005843 0.506375 Mo\n0.505074 0.495809 0.994988 Mo\n0.515673 0.501677 0.506702 Mo\n0.255311 0.249098 0.995501 Mo\n0.264569 0.254613 0.505916 Mo\n0.253065 0.744379 0.992500 Mo\n0.264039 0.749556 0.503700 Mo\n0.755753 0.243887 0.993086 Mo\n0.767846 0.251677 0.505998 Mo\n0.753593 0.747970 0.993991 Mo\n0.764898 0.752851 0.506132 Mo\n0.099274 0.109408 0.259423 W\n0.088717 0.098609 0.748072 W\n0.095971 0.593851 0.256621 W\n0.087904 0.583297 0.738348 W\n0.597267 0.102016 0.257221 W\n0.585852 0.089299 0.746633 W\n0.598476 0.593025 0.250276 W\n0.587826 0.589705 0.742765 W\n0.346997 0.403367 0.259669 W\n0.336991 0.399586 0.748402 W\n0.348161 0.911886 0.249374 W\n0.337345 0.906702 0.739353 W\n0.855713 0.404349 0.252907 W\n0.841924 0.398647 0.743348 W\n0.852574 0.908572 0.252132 W\n0.834880 0.910275 0.746030 W\n0.130035 0.125055 0.490506 O\n0.123798 0.121887 0.985622 O\n0.128084 0.616203 0.483542 O\n0.123154 0.613138 0.982913 O\n0.632502 0.125682 0.494734 O\n0.623997 0.115754 0.981610 O\n0.631922 0.622713 0.493878 O\n0.623261 0.618277 0.985192 O\n0.131613 0.376204 0.002232 O\n0.147595 0.387917 0.521746 O\n0.134007 0.875021 0.004487 O\n0.145618 0.880783 0.519442 O\n0.632810 0.373060 0.003800 O\n0.647487 0.384305 0.522720 O\n0.633956 0.877546 0.002901 O\n0.648105 0.887439 0.524760 O\n0.381879 0.123266 0.489610 O\n0.374601 0.118995 0.982570 O\n0.380532 0.616910 0.492981 O\n0.371786 0.613471 0.983923 O\n0.883774 0.120254 0.489257 O\n0.874603 0.115538 0.982911 O\n0.884150 0.622462 0.491981 O\n0.873012 0.616468 0.985477 O\n0.382752 0.376835 0.002499 O\n0.397155 0.385852 0.521039 O\n0.382180 0.877481 0.004092 O\n0.398314 0.890424 0.525680 O\n0.885017 0.375515 0.004887 O\n0.899011 0.386085 0.521383 O\n0.881149 0.878189 0.003370 O\n0.897351 0.886257 0.521542 O\n0.074709 0.081768 0.137386 O\n0.092171 0.106027 0.638698 O\n0.071771 0.583482 0.140380 O\n0.092518 0.612409 0.638567 O\n0.572658 0.080855 0.136061 O\n0.587476 0.110470 0.642096 O\n0.575139 0.587966 0.134719 O\n0.594915 0.611995 0.639621 O\n0.447188 0.391205 0.367305 O\n0.439745 0.393867 0.857648 O\n0.448641 0.916326 0.365189 O\n0.442716 0.914228 0.854654 O\n0.954862 0.393641 0.364794 O\n0.936722 0.397604 0.856371 O\n0.947877 0.898654 0.365487 O\n0.944024 0.912726 0.858275 O\n0.326166 0.309108 0.138532 O\n0.339407 0.282325 0.639556 O\n0.326384 0.797492 0.138469 O\n0.338382 0.775247 0.639630 O\n0.831123 0.297082 0.137058 O\n0.850126 0.275749 0.639312 O\n0.829744 0.798996 0.138652 O\n0.838901 0.784813 0.642717 O\n0.201976 0.226474 0.366971 O\n0.190650 0.212445 0.857447 O\n0.207032 0.706175 0.367140 O\n0.187654 0.691421 0.854853 O\n0.707050 0.209316 0.367546 O\n0.702280 0.196784 0.856131 O\n0.700339 0.701045 0.366841 O\n0.682567 0.706419 0.855778 O\n0.442143 0.079311 0.272941 O\n0.418210 0.070346 0.750644 O\n0.438577 0.546430 0.250650 O\n0.417688 0.540812 0.730445 O\n0.945538 0.074805 0.275226 O\n0.922714 0.066033 0.750244 O\n0.937224 0.570841 0.269381 O\n0.916771 0.544033 0.728139 O\n0.190240 0.448662 0.272381 O\n0.171361 0.432036 0.751500 O\n0.185316 0.954623 0.247473 O\n0.166059 0.938098 0.728695 O\n0.694689 0.449283 0.253931 O\n0.671824 0.434527 0.732132 O\n0.689783 0.952835 0.248941 O\n0.665719 0.932979 0.746616 O\n",
"nsites": 144,
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"elements": [
"K",
"Na",
"Mo",
"W",
"O"
],
"chemical_system": "K-Mo-Na-O-W",
"density": 5.329960806493124,
"density_atomic": 0.06847686360729666,
"volume": 2102.900051407376,
"volume_molar": 8.794416745685037,
"formula_full": "K16 Na16 Mo16 W16 O80",
"formula_reduced": "KNaMoWO5",
"formula_anonymous": "ABCDE5",
"energy": -1074.74241527,
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"updated_at": "2021-11-28T01:34:43.545000Z",
"spacegroup": 1
},
{
"id": "mp-1076754",
"created_at": "2022-09-04T14:39:32.842134Z",
"structure_string": "K16 Na16 Mo28 W4 O80\n1.0\n0.009806 0.004011 11.508507\n11.766626 -0.010246 0.009809\n-5.902139 15.430764 -5.754015\nK Na Mo W O\n16 16 28 4 80\ndirect\n0.304951 0.066634 0.109182 K\n0.304164 0.562615 0.108894 K\n0.806115 0.065353 0.111199 K\n0.805554 0.563261 0.109522 K\n0.200036 0.936144 0.394678 K\n0.191904 0.927692 0.882997 K\n0.700879 0.435666 0.395567 K\n0.693169 0.429987 0.883976 K\n0.699431 0.934492 0.395445 K\n0.057821 0.295662 0.109123 K\n0.055075 0.792167 0.107816 K\n0.553838 0.293372 0.107764 K\n0.555004 0.794452 0.107158 K\n0.451233 0.711143 0.395880 K\n0.440964 0.705698 0.883281 K\n0.941571 0.703063 0.883516 K\n0.301062 0.071176 0.604245 Na\n0.299882 0.563999 0.599524 Na\n0.801675 0.067062 0.604166 Na\n0.796490 0.567340 0.601272 Na\n0.201958 0.436801 0.403221 Na\n0.197788 0.433934 0.897017 Na\n0.696845 0.933771 0.895327 Na\n0.050767 0.283333 0.602310 Na\n0.049140 0.785382 0.600892 Na\n0.550434 0.285537 0.601479 Na\n0.552086 0.785543 0.602813 Na\n0.451714 0.215427 0.404428 Na\n0.448407 0.211370 0.896117 Na\n0.950652 0.216635 0.404001 Na\n0.946533 0.211800 0.895278 Na\n0.949908 0.715771 0.403069 Na\n0.004998 0.998534 0.995653 Mo\n0.014557 0.002215 0.505077 Mo\n0.004419 0.496046 0.994900 Mo\n0.013937 0.501434 0.501657 Mo\n0.504743 0.998477 0.994048 Mo\n0.513888 0.005309 0.506848 Mo\n0.505505 0.496572 0.996117 Mo\n0.514430 0.501097 0.504880 Mo\n0.254720 0.247941 0.994286 Mo\n0.264247 0.253631 0.504217 Mo\n0.254667 0.746096 0.994737 Mo\n0.262927 0.749745 0.503656 Mo\n0.755957 0.245291 0.993602 Mo\n0.766428 0.251297 0.505078 Mo\n0.754690 0.749503 0.996153 Mo\n0.765047 0.753169 0.506773 Mo\n0.098173 0.106409 0.257271 Mo\n0.087485 0.096367 0.746491 Mo\n0.096677 0.593188 0.256857 Mo\n0.598193 0.100173 0.255198 Mo\n0.590306 0.088937 0.746757 Mo\n0.599657 0.592429 0.252120 Mo\n0.345801 0.403222 0.257331 Mo\n0.348643 0.914839 0.252705 Mo\n0.854478 0.406044 0.253859 Mo\n0.843105 0.398975 0.742891 Mo\n0.851934 0.911016 0.255532 Mo\n0.836946 0.910640 0.746546 Mo\n0.086925 0.583260 0.738865 W\n0.588817 0.589579 0.742722 W\n0.337371 0.400261 0.748366 W\n0.337563 0.908926 0.740645 W\n0.128659 0.124582 0.489997 O\n0.121909 0.120416 0.983586 O\n0.126790 0.615732 0.482124 O\n0.123967 0.613495 0.983420 O\n0.630767 0.124944 0.493611 O\n0.623953 0.116219 0.981513 O\n0.631937 0.622969 0.493573 O\n0.623612 0.618789 0.985918 O\n0.132237 0.375914 0.002011 O\n0.146575 0.387054 0.519650 O\n0.134261 0.876543 0.006191 O\n0.145184 0.881971 0.520751 O\n0.633160 0.374248 0.004669 O\n0.646394 0.383404 0.521309 O\n0.634898 0.879385 0.005268 O\n0.648086 0.887840 0.525604 O\n0.381571 0.122565 0.488935 O\n0.374039 0.118580 0.981659 O\n0.378592 0.616194 0.491089 O\n0.372131 0.613773 0.984702 O\n0.883021 0.120021 0.489306 O\n0.872960 0.114526 0.980998 O\n0.883293 0.621975 0.490884 O\n0.873691 0.617175 0.986352 O\n0.382927 0.377333 0.003733 O\n0.396439 0.385455 0.519641 O\n0.383579 0.879233 0.005600 O\n0.397557 0.890478 0.525870 O\n0.885236 0.375727 0.004692 O\n0.898880 0.386358 0.522097 O\n0.882026 0.879996 0.004929 O\n0.897211 0.886804 0.522393 O\n0.074020 0.089910 0.138395 O\n0.091644 0.109958 0.640316 O\n0.076598 0.584993 0.141273 O\n0.092994 0.611277 0.638563 O\n0.574225 0.089620 0.137898 O\n0.590049 0.112165 0.643476 O\n0.577378 0.590321 0.137694 O\n0.594019 0.611643 0.638757 O\n0.448399 0.390212 0.364695 O\n0.439195 0.393352 0.857873 O\n0.446094 0.909352 0.365132 O\n0.443278 0.911761 0.855087 O\n0.951829 0.390040 0.362831 O\n0.938846 0.397251 0.855285 O\n0.944919 0.893236 0.364903 O\n0.941229 0.906601 0.856408 O\n0.324238 0.302538 0.138453 O\n0.339927 0.282737 0.638822 O\n0.329878 0.800054 0.140139 O\n0.337779 0.776242 0.639568 O\n0.833200 0.299170 0.138107 O\n0.848573 0.275351 0.639650 O\n0.832995 0.801922 0.140776 O\n0.842291 0.784890 0.643830 O\n0.205164 0.224247 0.364324 O\n0.192710 0.210287 0.855302 O\n0.203508 0.710075 0.365352 O\n0.187955 0.692079 0.855884 O\n0.710149 0.207988 0.365421 O\n0.702006 0.199535 0.855585 O\n0.700561 0.704526 0.365883 O\n0.682373 0.707343 0.856727 O\n0.441794 0.072017 0.267812 O\n0.422178 0.067256 0.749962 O\n0.441008 0.545461 0.253873 O\n0.418173 0.540631 0.730186 O\n0.943493 0.068896 0.270179 O\n0.920243 0.063751 0.747278 O\n0.938035 0.566652 0.267613 O\n0.915700 0.545734 0.729785 O\n0.188640 0.448509 0.268208 O\n0.170740 0.432464 0.750632 O\n0.186703 0.957077 0.251946 O\n0.165509 0.937906 0.731416 O\n0.692564 0.448068 0.253012 O\n0.673297 0.435836 0.731656 O\n0.688979 0.952921 0.252819 O\n0.667089 0.933545 0.746140 O\n",
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"volume": 2089.151401579879,
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"formula_full": "K16 Na16 Mo28 W4 O80",
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"energy": -1054.22045816,
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"updated_at": "2021-11-28T01:34:29.704000Z",
"spacegroup": 1
},
{
"id": "mp-1245771",
"created_at": "2022-09-04T14:41:00.001313Z",
"structure_string": "Mn20 Si12 N36\n1.0\n7.562705 0.688141 0.000000\n-7.401463 6.904094 0.000000\n0.000000 0.000000 14.238629\nMn Si N\n20 12 36\ndirect\n0.000000 0.499134 0.833014 Mn\n0.000000 0.500866 0.166986 Mn\n0.000000 0.000866 0.333014 Mn\n0.000000 0.999134 0.666986 Mn\n0.341663 0.996544 0.838826 Mn\n0.341663 0.345120 0.161174 Mn\n0.341663 0.845120 0.338826 Mn\n0.341663 0.496544 0.661174 Mn\n0.658337 0.003456 0.161174 Mn\n0.658337 0.654880 0.838826 Mn\n0.658337 0.154880 0.661174 Mn\n0.658337 0.503456 0.338826 Mn\n0.000000 0.439725 0.583416 Mn\n0.000000 0.560275 0.416584 Mn\n0.000000 0.060275 0.083416 Mn\n0.000000 0.939725 0.916584 Mn\n0.398695 0.199348 0.000000 Mn\n0.398695 0.699348 0.500000 Mn\n0.601305 0.800652 0.000000 Mn\n0.601305 0.300652 0.500000 Mn\n0.000000 0.717779 0.006703 Si\n0.000000 0.282221 0.993297 Si\n0.000000 0.782221 0.506703 Si\n0.000000 0.217779 0.493297 Si\n0.000000 0.240711 0.774083 Si\n0.000000 0.759289 0.225917 Si\n0.000000 0.259289 0.274083 Si\n0.000000 0.740711 0.725917 Si\n0.500000 0.819260 0.750000 Si\n0.500000 0.680740 0.250000 Si\n0.500000 0.180740 0.250000 Si\n0.500000 0.319260 0.750000 Si\n0.000000 0.394107 0.713736 N\n0.000000 0.605893 0.286264 N\n0.000000 0.105893 0.213736 N\n0.000000 0.894107 0.786264 N\n0.000000 0.314552 0.879051 N\n0.000000 0.685448 0.120949 N\n0.000000 0.185448 0.379051 N\n0.000000 0.814552 0.620949 N\n0.000000 0.545724 0.965296 N\n0.000000 0.454276 0.034704 N\n0.000000 0.954276 0.465296 N\n0.000000 0.045724 0.534704 N\n0.757872 0.538308 0.769777 N\n0.757872 0.219564 0.230223 N\n0.757872 0.719564 0.269777 N\n0.757872 0.038308 0.730223 N\n0.242128 0.461692 0.230223 N\n0.242128 0.780436 0.769777 N\n0.242128 0.280436 0.730223 N\n0.242128 0.961692 0.269777 N\n0.491125 0.230986 0.857829 N\n0.491125 0.260139 0.142171 N\n0.491125 0.760139 0.357829 N\n0.491125 0.730986 0.642171 N\n0.508875 0.769014 0.142171 N\n0.508875 0.739861 0.857829 N\n0.508875 0.239861 0.642171 N\n0.508875 0.269014 0.357829 N\n0.235885 0.936860 0.968211 N\n0.235885 0.299024 0.031789 N\n0.235885 0.799024 0.468211 N\n0.235885 0.436860 0.531789 N\n0.764115 0.063140 0.031789 N\n0.764115 0.700976 0.968211 N\n0.764115 0.200976 0.531789 N\n0.764115 0.563140 0.468211 N\n",
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"formula_full": "Mn20 Si12 N36",
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{
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{
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{
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},
{
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{
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{
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