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{
"id": "mp-1182136",
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"spacegroup": 4
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{
"id": "mp-557836",
"created_at": "2022-09-04T14:46:55.341180Z",
"structure_string": "Na10 B4 P6 O26\n1.0\n11.746811 0.000000 0.000000\n0.000000 6.792599 0.000000\n0.000000 3.298381 7.042790\nNa B P O\n10 4 6 26\ndirect\n0.898702 0.619688 0.721832 Na\n0.669224 0.524970 0.507744 Na\n0.391845 0.647848 0.732711 Na\n0.763935 0.098922 0.964675 Na\n0.263935 0.901078 0.035325 Na\n0.668029 0.048225 0.488031 Na\n0.398702 0.380312 0.278168 Na\n0.168029 0.951775 0.511969 Na\n0.891845 0.352152 0.267289 Na\n0.169224 0.475030 0.492256 Na\n0.487100 0.211228 0.001556 B\n0.535904 0.867479 0.996136 B\n0.987100 0.788772 0.998444 B\n0.035904 0.132521 0.003864 B\n0.436778 0.844015 0.320406 P\n0.423265 0.158091 0.693350 P\n0.650827 0.500209 0.011039 P\n0.150827 0.499791 0.988961 P\n0.936778 0.155985 0.679594 P\n0.923265 0.841909 0.306650 P\n0.632723 0.748475 0.969865 O\n0.972328 0.262186 0.821177 O\n0.522598 0.258271 0.559851 O\n0.404782 0.268386 0.837196 O\n0.472328 0.737814 0.178823 O\n0.948258 0.089979 0.161357 O\n0.820361 0.246137 0.597542 O\n0.075548 0.929356 0.007554 O\n0.022598 0.741729 0.440149 O\n0.132723 0.251525 0.030135 O\n0.028972 0.192045 0.532917 O\n0.310668 0.164991 0.594449 O\n0.810668 0.835009 0.405551 O\n0.223065 0.510850 0.146651 O\n0.528972 0.807955 0.467083 O\n0.575548 0.070644 0.992446 O\n0.723065 0.489150 0.853349 O\n0.320361 0.753863 0.402458 O\n0.023068 0.578436 0.002836 O\n0.418082 0.095436 0.181905 O\n0.904782 0.731614 0.162804 O\n0.196148 0.628092 0.789544 O\n0.696148 0.371908 0.210456 O\n0.523068 0.421564 0.997164 O\n0.448258 0.910021 0.838643 O\n0.918082 0.904564 0.818095 O\n",
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"elements": [
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"formula_full": "Na10 B4 P6 O26",
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"spacegroup": 4
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{
"id": "mp-1222086",
"created_at": "2022-09-04T14:46:55.956393Z",
"structure_string": "Mn4 Mo4 H8 Se4 O28\n1.0\n12.986000 0.000000 0.000000\n0.000000 6.610824 0.000000\n0.000000 0.016730 7.187140\nMn Mo H Se O\n4 4 8 4 28\ndirect\n0.396505 0.520453 0.500508 Mn\n0.896505 0.479547 0.499492 Mn\n0.669539 0.108433 0.993442 Mn\n0.169539 0.891567 0.006558 Mn\n0.658566 0.586738 0.247804 Mo\n0.660056 0.584141 0.747306 Mo\n0.158566 0.413262 0.752196 Mo\n0.160056 0.415859 0.252694 Mo\n0.431649 0.123303 0.380124 H\n0.434012 0.105840 0.593126 H\n0.931649 0.876697 0.619876 H\n0.934012 0.894160 0.406874 H\n0.463794 0.221365 0.910686 H\n0.963794 0.778635 0.089314 H\n0.439434 0.996081 0.967922 H\n0.939434 0.003919 0.032078 H\n0.710939 0.125924 0.494735 Se\n0.210939 0.874076 0.505265 Se\n0.883851 0.411551 0.997394 Se\n0.383851 0.588449 0.002606 Se\n0.833537 0.171427 0.004768 O\n0.333537 0.828573 0.995232 O\n0.665131 0.261243 0.299925 O\n0.666332 0.259223 0.690986 O\n0.165131 0.738757 0.700075 O\n0.166332 0.740777 0.309014 O\n0.719278 0.603923 0.495857 O\n0.219278 0.396077 0.504143 O\n0.827191 0.538995 0.186061 O\n0.825108 0.523973 0.803197 O\n0.327191 0.461005 0.813939 O\n0.325108 0.476027 0.196803 O\n0.527950 0.591356 0.314278 O\n0.528485 0.588959 0.684490 O\n0.027950 0.408644 0.685722 O\n0.028485 0.411041 0.315510 O\n0.675606 0.841706 0.177983 O\n0.681260 0.837821 0.813174 O\n0.175606 0.158294 0.822017 O\n0.181260 0.162179 0.186826 O\n0.640858 0.469580 0.997638 O\n0.140858 0.530420 0.002362 O\n0.839201 0.181382 0.493268 O\n0.339201 0.818618 0.506732 O\n0.446643 0.201684 0.491802 O\n0.946643 0.798316 0.508198 O\n0.496884 0.094186 0.946228 O\n0.996884 0.905814 0.053772 O\n",
"nsites": 48,
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"elements": [
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],
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"density": 3.701610103070253,
"density_atomic": 0.07779543957592756,
"volume": 617.002747997233,
"volume_molar": 7.740994578637802,
"formula_full": "Mn4 Mo4 H8 Se4 O28",
"formula_reduced": "MnMoH2SeO7",
"formula_anonymous": "ABCD2E7",
"energy": -338.2295381,
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"updated_at": "2021-11-28T01:37:51.856000Z",
"spacegroup": 4
},
{
"id": "mp-975577",
"created_at": "2022-09-04T14:46:56.234367Z",
"structure_string": "K6 La2 As4 O16\n1.0\n5.927271 0.000000 0.000000\n0.000000 7.688818 0.000000\n0.000000 0.290989 10.078185\nK La As O\n6 2 4 16\ndirect\n0.509166 0.010662 0.808782 K\n0.009166 0.989338 0.191218 K\n0.511228 0.859569 0.404195 K\n0.011228 0.140431 0.595805 K\n0.497495 0.315335 0.082505 K\n0.997495 0.684665 0.917495 K\n0.992022 0.490263 0.292499 La\n0.492022 0.509737 0.707501 La\n0.998048 0.253075 0.915637 As\n0.498048 0.746925 0.084363 As\n0.518509 0.298187 0.426660 As\n0.018509 0.701813 0.573340 As\n0.486604 0.966814 0.097872 O\n0.986604 0.033186 0.902128 O\n0.071920 0.483593 0.555711 O\n0.571920 0.516407 0.444289 O\n0.998371 0.788009 0.413998 O\n0.498371 0.211991 0.586002 O\n0.776562 0.747221 0.661759 O\n0.276562 0.252779 0.338241 O\n0.251526 0.782639 0.654292 O\n0.751526 0.217361 0.345708 O\n0.744915 0.667164 0.155567 O\n0.244915 0.332836 0.844433 O\n0.271817 0.652039 0.168505 O\n0.771817 0.347961 0.831495 O\n0.490427 0.680669 0.921942 O\n0.990427 0.319331 0.078058 O\n",
"nsites": 28,
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"elements": [
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"As",
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],
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"density": 3.8614924399625554,
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"volume": 459.30025991329467,
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"formula_full": "K6 La2 As4 O16",
"formula_reduced": "K3La(AsO4)2",
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"energy": -182.07609836,
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{
"id": "mp-1651026",
"created_at": "2022-09-04T14:46:56.341829Z",
"structure_string": "Li2 Fe2 P2 H4 O10\n1.0\n0.001992 -0.002604 4.807162\n5.720991 -0.665926 -0.006334\n-0.962673 8.345631 0.004193\nLi Fe P H O\n2 2 2 4 10\ndirect\n0.084281 0.120315 0.422868 Li\n0.584660 0.381829 0.577239 Li\n0.508388 0.505851 0.026526 Fe\n0.007615 0.993728 0.973400 Fe\n0.588251 0.063167 0.217691 P\n0.088751 0.436808 0.782595 P\n0.633015 0.092757 0.771223 H\n0.131578 0.406238 0.227415 H\n0.037225 0.658198 0.206288 H\n0.535753 0.842104 0.793932 H\n0.266654 0.065865 0.207010 O\n0.767108 0.433625 0.793172 O\n0.687444 0.134899 0.395782 O\n0.187816 0.366256 0.604482 O\n0.700059 0.931399 0.770594 O\n0.200401 0.567544 0.229332 O\n0.716730 0.234145 0.114710 O\n0.217103 0.265243 0.885030 O\n0.214390 0.687774 0.868196 O\n0.713975 0.812253 0.132513 O\n",
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"formula_full": "Li2 Fe2 P2 H4 O10",
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{
"id": "mp-643123",
"created_at": "2022-09-04T14:46:56.965168Z",
"structure_string": "K10 Ag2 N4 O4\n1.0\n13.902954 0.000000 0.000000\n0.000000 5.244482 0.000000\n0.000000 0.005128 6.925522\nK Ag N O\n10 2 4 4\ndirect\n0.712581 0.514673 0.912174 K\n0.281316 0.511572 0.598125 K\n0.781316 0.488428 0.401875 K\n0.212581 0.485327 0.087826 K\n0.877065 0.999575 0.030307 K\n0.119204 0.996625 0.480407 K\n0.619204 0.003375 0.519593 K\n0.377065 0.000425 0.969693 K\n0.502175 0.467868 0.247984 K\n0.002175 0.532132 0.752016 K\n0.998344 0.496333 0.250415 Ag\n0.498344 0.503667 0.749585 Ag\n0.855680 0.986665 0.597296 N\n0.155108 0.971259 0.891176 N\n0.655108 0.028741 0.108824 N\n0.355680 0.013335 0.402704 N\n0.882883 0.498885 0.066535 O\n0.115427 0.494680 0.430392 O\n0.615427 0.505320 0.569608 O\n0.382883 0.501115 0.933465 O\n",
"nsites": 20,
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],
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"formula_full": "K10 Ag2 N4 O4",
"formula_reduced": "K5Ag(NO)2",
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"energy": -73.88157699000001,
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"spacegroup": 4
},
{
"id": "mp-1204903",
"created_at": "2022-09-04T14:46:57.057663Z",
"structure_string": "Rb8 Cd8 S12 O48\n1.0\n10.646669 0.000000 0.051431\n0.000000 10.617172 0.000000\n0.043586 0.000000 10.726088\nRb Cd S O\n8 8 12 48\ndirect\n0.933742 0.045810 0.208946 Rb\n0.066258 0.545810 0.791054 Rb\n0.564256 0.166179 0.694477 Rb\n0.435744 0.666179 0.305522 Rb\n0.805733 0.804662 0.574682 Rb\n0.194267 0.304662 0.425318 Rb\n0.676838 0.399224 0.054554 Rb\n0.323162 0.899224 0.945446 Rb\n0.900919 0.195435 0.850717 Cd\n0.099081 0.695435 0.149283 Cd\n0.573112 0.035375 0.339968 Cd\n0.426888 0.535375 0.660032 Cd\n0.845065 0.433966 0.417651 Cd\n0.154935 0.933966 0.582349 Cd\n0.665856 0.756091 0.907698 Cd\n0.334144 0.256091 0.092302 Cd\n0.526552 0.342105 0.368822 S\n0.473448 0.842105 0.631178 S\n0.892102 0.140443 0.532996 S\n0.107898 0.640443 0.467004 S\n0.616972 0.082095 0.020537 S\n0.383028 0.582095 0.979463 S\n0.785227 0.703266 0.217494 S\n0.214773 0.203266 0.782506 S\n0.020582 0.378727 0.127124 S\n0.979418 0.878727 0.872876 S\n0.264005 0.976847 0.280668 S\n0.735995 0.476847 0.719332 S\n0.661540 0.109926 0.149116 O\n0.338460 0.609926 0.850884 O\n0.402068 0.938679 0.257314 O\n0.597932 0.438679 0.742686 O\n0.499739 0.214494 0.425042 O\n0.500261 0.714494 0.574958 O\n0.751659 0.655316 0.094382 O\n0.248341 0.155316 0.905618 O\n0.000708 0.509518 0.080272 O\n0.999292 0.009518 0.919728 O\n0.908365 0.763443 0.225397 O\n0.091635 0.263443 0.774603 O\n0.156499 0.358376 0.150631 O\n0.843501 0.858376 0.849369 O\n0.851990 0.106704 0.662961 O\n0.148010 0.606704 0.337039 O\n0.787864 0.116223 0.447340 O\n0.212136 0.616223 0.552660 O\n0.720024 0.893119 0.340679 O\n0.279976 0.393119 0.659321 O\n0.187918 0.891331 0.193955 O\n0.812082 0.391331 0.806045 O\n0.663346 0.354071 0.340136 O\n0.336654 0.854071 0.659864 O\n0.710750 0.132187 0.928870 O\n0.289250 0.632187 0.071130 O\n0.931187 0.276322 0.528233 O\n0.068813 0.776322 0.471767 O\n0.595612 0.945704 0.002080 O\n0.404388 0.445704 0.997920 O\n0.496570 0.151246 0.996394 O\n0.503430 0.651246 0.003606 O\n0.455591 0.355919 0.250129 O\n0.544409 0.855919 0.749871 O\n0.762415 0.611735 0.318617 O\n0.237585 0.111735 0.681384 O\n0.484537 0.440591 0.457035 O\n0.515463 0.940591 0.542965 O\n0.971346 0.286385 0.035702 O\n0.028654 0.786385 0.964298 O\n0.682607 0.811982 0.234327 O\n0.317393 0.311982 0.765673 O\n0.004230 0.062251 0.494887 O\n0.995770 0.562251 0.505113 O\n0.248658 0.110731 0.227789 O\n0.751342 0.610731 0.772211 O\n0.950392 0.357319 0.246993 O\n0.049608 0.857319 0.753007 O\n",
"nsites": 76,
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"elements": [
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"O"
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