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{
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{
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{
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"structure_string": "K3 Np3 Si2 O13\n1.0\n0.000561 0.000876 -3.957663\n-4.924796 -8.516543 0.002652\n-4.887818 8.495190 -0.001228\nK Np Si O\n3 3 2 13\ndirect\n0.498832 0.219387 0.996106 K\n0.498879 0.777035 0.780472 K\n0.498814 0.003182 0.223022 K\n0.000263 0.423513 0.402462 Np\n0.000169 0.979341 0.576911 Np\n0.000106 0.597217 0.020474 Np\n0.494854 0.333093 0.666819 Si\n0.558522 0.666695 0.333490 Si\n0.000753 0.230796 0.211139 O\n0.000761 0.980387 0.769472 O\n0.000721 0.788142 0.019461 O\n0.998374 0.597630 0.603200 O\n0.998444 0.005239 0.402529 O\n0.998395 0.397432 0.994666 O\n0.496043 0.326283 0.499809 O\n0.496023 0.173947 0.673898 O\n0.496037 0.500042 0.826515 O\n0.493727 0.832733 0.503009 O\n0.493791 0.497530 0.329652 O\n0.493612 0.670151 0.166957 O\n0.982880 0.666724 0.333236 O\n",
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"formula_full": "K3 Np3 Si2 O13",
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"spacegroup": 143
},
{
"id": "mp-1200963",
"created_at": "2022-09-04T14:47:11.711292Z",
"structure_string": "V8 P8 N8 O40\n1.0\n6.341666 0.000000 0.000000\n0.000000 10.571107 0.000000\n0.000000 0.000000 12.740336\nV P N O\n8 8 8 40\ndirect\n0.252059 0.261212 0.618684 V\n0.252059 0.738788 0.381316 V\n0.752059 0.761212 0.881316 V\n0.752059 0.238788 0.118684 V\n0.485559 0.003992 0.744096 V\n0.485559 0.996008 0.255904 V\n0.985559 0.503992 0.755904 V\n0.985559 0.496008 0.244096 V\n0.910693 0.500000 0.000000 P\n0.410693 0.000000 0.500000 P\n0.758061 0.242794 0.685285 P\n0.758061 0.757206 0.314715 P\n0.258061 0.742794 0.814715 P\n0.258061 0.257206 0.185285 P\n0.085160 0.500000 0.500000 P\n0.585160 0.000000 0.000000 P\n0.469421 0.419724 0.884756 N\n0.469421 0.580276 0.115244 N\n0.969421 0.919724 0.615244 N\n0.969421 0.080276 0.384756 N\n0.584237 0.671091 0.600026 N\n0.584237 0.328909 0.399974 N\n0.084237 0.171091 0.899974 N\n0.084237 0.828909 0.100026 N\n0.952285 0.217591 0.614048 O\n0.952285 0.782409 0.385952 O\n0.452285 0.717591 0.885952 O\n0.452285 0.282409 0.114048 O\n0.805765 0.358725 0.756339 O\n0.805765 0.641275 0.243661 O\n0.305765 0.858725 0.743661 O\n0.305765 0.141275 0.256339 O\n0.559584 0.271007 0.618593 O\n0.559584 0.728993 0.381407 O\n0.059584 0.771007 0.881407 O\n0.059584 0.228993 0.118593 O\n0.713036 0.123651 0.754039 O\n0.713036 0.876349 0.245961 O\n0.213036 0.623651 0.745961 O\n0.213036 0.376349 0.254039 O\n0.779843 0.379866 0.016068 O\n0.779843 0.620134 0.983932 O\n0.279843 0.879866 0.483932 O\n0.279843 0.120134 0.516068 O\n0.051812 0.478721 0.900021 O\n0.051812 0.521279 0.099979 O\n0.551812 0.978721 0.599979 O\n0.551812 0.021279 0.400021 O\n0.228602 0.380034 0.511065 O\n0.228602 0.619966 0.488935 O\n0.728602 0.880034 0.988935 O\n0.728602 0.119966 0.011065 O\n0.211798 0.363350 0.717213 O\n0.211798 0.636650 0.282787 O\n0.711798 0.863350 0.782787 O\n0.711798 0.136650 0.217213 O\n0.299367 0.112557 0.718209 O\n0.299367 0.887443 0.281791 O\n0.799367 0.612557 0.781791 O\n0.799367 0.387443 0.218209 O\n0.452595 0.013782 0.899645 O\n0.452595 0.986218 0.100355 O\n0.952595 0.513782 0.600355 O\n0.952595 0.486218 0.399645 O\n",
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"elements": [
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],
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"formula_full": "V8 P8 N8 O40",
"formula_reduced": "VPNO5",
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"updated_at": "2021-11-28T01:37:56.264000Z",
"spacegroup": 34
},
{
"id": "mp-27280",
"created_at": "2022-09-04T14:47:08.992565Z",
"structure_string": "Na4 Mn2 Cl8\n1.0\n3.878506 0.000000 0.000000\n0.000000 6.966578 0.000000\n0.000000 0.000000 12.049356\nNa Mn Cl\n4 2 8\ndirect\n0.500000 0.083272 0.681269 Na\n0.500000 0.916728 0.318731 Na\n0.500000 0.416728 0.181269 Na\n0.500000 0.583272 0.818731 Na\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.737596 0.543956 Cl\n0.500000 0.262404 0.456044 Cl\n0.000000 0.122460 0.195042 Cl\n0.000000 0.877540 0.804958 Cl\n0.000000 0.622460 0.304958 Cl\n0.000000 0.377540 0.695042 Cl\n0.500000 0.237596 0.956044 Cl\n0.500000 0.762404 0.043956 Cl\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.476019133931596,
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"volume": 325.5725697732547,
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"formula_full": "Na4 Mn2 Cl8",
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"spacegroup": 55
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{
"id": "mp-1233828",
"created_at": "2022-09-04T14:47:19.265869Z",
"structure_string": "Mg1 Ag6 Mo10 O33\n1.0\n7.596700 -0.002519 -1.541348\n2.063355 -8.605901 -1.784204\n-0.198351 -1.068573 -11.355528\nMg Ag Mo O\n1 6 10 33\ndirect\n0.385473 0.611149 0.338657 Mg\n0.344945 0.014912 0.249350 Ag\n0.666153 0.993779 0.746798 Ag\n0.250240 0.369342 0.185556 Ag\n0.766385 0.597935 0.830168 Ag\n0.693442 0.428239 0.182021 Ag\n0.435654 0.464341 0.741410 Ag\n0.447166 0.217165 0.478367 Mo\n0.545808 0.792536 0.528944 Mo\n0.943828 0.232822 0.463672 Mo\n0.048080 0.779619 0.548699 Mo\n0.844007 0.815618 0.058978 Mo\n0.126397 0.192636 0.949997 Mo\n0.704536 0.188644 0.987442 Mo\n0.304505 0.787484 0.020830 Mo\n0.811893 0.004438 0.323878 Mo\n0.193358 0.993503 0.686780 Mo\n0.956564 0.023815 0.999849 O\n0.102281 0.697194 0.057979 O\n0.882488 0.325573 0.940200 O\n0.637799 0.989804 0.077980 O\n0.323620 0.995091 0.947442 O\n0.517579 0.319764 0.045929 O\n0.494690 0.656174 0.973934 O\n0.751998 0.656759 0.150821 O\n0.242250 0.336473 0.862076 O\n0.161856 0.185930 0.100953 O\n0.815607 0.811721 0.909625 O\n0.336257 0.773125 0.177812 O\n0.656971 0.196919 0.840304 O\n0.783818 0.168753 0.192449 O\n0.225906 0.832745 0.817535 O\n0.878112 0.850326 0.246433 O\n0.122638 0.151300 0.760742 O\n0.423336 0.389656 0.327126 O\n0.578142 0.656504 0.679946 O\n0.981582 0.356842 0.315606 O\n0.013795 0.651138 0.692439 O\n0.030134 0.000289 0.379906 O\n0.971657 0.996842 0.627254 O\n0.545037 0.015758 0.381257 O\n0.454286 0.995127 0.625524 O\n0.162407 0.653619 0.451399 O\n0.845755 0.358987 0.557005 O\n0.544178 0.693014 0.412712 O\n0.430671 0.325292 0.584853 O\n0.726849 0.173552 0.444650 O\n0.270899 0.831603 0.565586 O\n0.805719 0.827085 0.502872 O\n0.196580 0.173754 0.500473 O\n",
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},
{
"id": "mp-1205220",
"created_at": "2022-09-04T14:47:10.394080Z",
"structure_string": "In8 Sb16 Pb16 Se52\n1.0\n22.473357 0.000000 0.000000\n0.000000 27.931447 0.000000\n0.000000 0.000000 4.129529\nIn Sb Pb Se\n8 16 16 52\ndirect\n0.000000 0.500000 0.000000 In\n0.500000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.229030 0.343305 0.000000 In\n0.770970 0.656695 0.000000 In\n0.729030 0.156695 0.000000 In\n0.270970 0.843305 0.000000 In\n0.389368 0.415174 0.500000 Sb\n0.610632 0.584826 0.500000 Sb\n0.889368 0.084826 0.500000 Sb\n0.110632 0.915174 0.500000 Sb\n0.153829 0.480103 0.500000 Sb\n0.846171 0.519897 0.500000 Sb\n0.653829 0.019897 0.500000 Sb\n0.346171 0.980103 0.500000 Sb\n0.143675 0.608508 0.000000 Sb\n0.856325 0.391492 0.000000 Sb\n0.643675 0.891492 0.000000 Sb\n0.356325 0.108508 0.000000 Sb\n0.521702 0.343811 0.000000 Sb\n0.478298 0.656189 0.000000 Sb\n0.021702 0.156189 0.000000 Sb\n0.978298 0.843811 0.000000 Sb\n0.123431 0.750515 0.500000 Pb\n0.876569 0.249485 0.500000 Pb\n0.623431 0.749485 0.500000 Pb\n0.376569 0.250515 0.500000 Pb\n0.680479 0.426189 0.500000 Pb\n0.319521 0.573811 0.500000 Pb\n0.180479 0.073811 0.500000 Pb\n0.819521 0.926189 0.500000 Pb\n0.668974 0.270795 0.500000 Pb\n0.331026 0.729205 0.500000 Pb\n0.168974 0.229205 0.500000 Pb\n0.831026 0.770795 0.500000 Pb\n0.967824 0.650666 0.500000 Pb\n0.032176 0.349334 0.500000 Pb\n0.467824 0.849334 0.500000 Pb\n0.532176 0.150666 0.500000 Pb\n0.525092 0.278870 0.500000 Se\n0.474908 0.721130 0.500000 Se\n0.025092 0.221130 0.500000 Se\n0.974908 0.778870 0.500000 Se\n0.249597 0.400408 0.500000 Se\n0.750403 0.599592 0.500000 Se\n0.749597 0.099592 0.500000 Se\n0.250403 0.900408 0.500000 Se\n0.061732 0.684094 0.000000 Se\n0.938268 0.315906 0.000000 Se\n0.561732 0.815906 0.000000 Se\n0.438268 0.184094 0.000000 Se\n0.381618 0.489073 0.000000 Se\n0.618382 0.510927 0.000000 Se\n0.881618 0.010927 0.000000 Se\n0.118382 0.989073 0.000000 Se\n0.082085 0.430735 0.000000 Se\n0.917915 0.569265 0.000000 Se\n0.582085 0.069265 0.000000 Se\n0.417915 0.930735 0.000000 Se\n0.064420 0.550081 0.500000 Se\n0.935580 0.449919 0.500000 Se\n0.564420 0.949919 0.500000 Se\n0.435580 0.050081 0.500000 Se\n0.648901 0.355462 0.000000 Se\n0.351099 0.644538 0.000000 Se\n0.148901 0.144538 0.000000 Se\n0.851099 0.855462 0.000000 Se\n0.879029 0.695699 0.000000 Se\n0.120971 0.304301 0.000000 Se\n0.379029 0.804301 0.000000 Se\n0.620971 0.195699 0.000000 Se\n0.511249 0.429060 0.500000 Se\n0.488751 0.570940 0.500000 Se\n0.011249 0.070940 0.500000 Se\n0.988751 0.929060 0.500000 Se\n0.222128 0.524314 0.000000 Se\n0.777872 0.475686 0.000000 Se\n0.722128 0.975686 0.000000 Se\n0.277872 0.024314 0.000000 Se\n0.395277 0.342856 0.000000 Se\n0.604723 0.657144 0.000000 Se\n0.895277 0.157144 0.000000 Se\n0.104723 0.842856 0.000000 Se\n0.209413 0.646319 0.500000 Se\n0.790587 0.353681 0.500000 Se\n0.709413 0.853681 0.500000 Se\n0.290587 0.146319 0.500000 Se\n0.226643 0.756722 0.000000 Se\n0.773357 0.243278 0.000000 Se\n0.726643 0.743278 0.000000 Se\n0.273357 0.256722 0.000000 Se\n",
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},
{
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}