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{
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"results": [
{
"id": "mp-1175359",
"created_at": "2022-09-04T14:47:43.482078Z",
"structure_string": "Li14 Mn10 O24\n1.0\n2.884315 -0.000051 -0.000047\n1.441842 8.153423 10.668901\n-1.442168 -7.550958 8.948733\nLi Mn O\n14 10 24\ndirect\n0.666745 0.333296 0.666674 Li\n0.666718 0.833335 0.166642 Li\n0.583036 0.537947 0.704063 Li\n0.583043 0.037921 0.204003 Li\n0.750340 0.628691 0.129332 Li\n0.750347 0.128706 0.629337 Li\n0.914258 0.211406 0.039878 Li\n0.914259 0.711386 0.539857 Li\n0.419069 0.455207 0.293482 Li\n0.419067 0.955220 0.793478 Li\n0.244587 0.377007 0.866320 Li\n0.244587 0.876964 0.366266 Li\n0.088706 0.789700 0.967037 Li\n0.088723 0.289667 0.467037 Li\n0.166610 0.583477 0.916689 Mn\n0.003930 0.997238 0.005210 Mn\n0.329381 0.169379 0.828129 Mn\n0.500012 0.250881 0.250779 Mn\n0.833220 0.915844 0.582385 Mn\n0.166853 0.083379 0.416735 Mn\n0.003975 0.497228 0.505278 Mn\n0.329395 0.669335 0.328091 Mn\n0.499929 0.751013 0.750688 Mn\n0.833244 0.415801 0.082451 Mn\n0.454541 0.098120 0.007294 O\n0.454557 0.598090 0.507328 O\n0.878728 0.568463 0.326035 O\n0.878708 0.068491 0.826039 O\n0.634521 0.675482 0.944489 O\n0.634672 0.175396 0.444493 O\n0.698704 0.491411 0.888928 O\n0.698830 0.991351 0.388898 O\n0.798481 0.257914 0.854834 O\n0.798485 0.757881 0.354799 O\n0.534815 0.908691 0.978484 O\n0.534841 0.408671 0.478560 O\n0.107231 0.448471 0.663031 O\n0.107191 0.948500 0.162936 O\n0.226189 0.718105 0.170329 O\n0.226223 0.218102 0.670376 O\n0.301223 0.506603 0.109109 O\n0.301224 0.006640 0.609089 O\n0.032086 0.660134 0.724232 O\n0.032121 0.160040 0.224243 O\n0.967341 0.342768 0.277331 O\n0.967303 0.842867 0.777304 O\n0.365977 0.323870 0.056009 O\n0.365971 0.823920 0.555987 O\n",
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"elements": [
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"Mn",
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],
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"density": 3.8645222572171742,
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"volume": 442.8107535220103,
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"formula_full": "Li14 Mn10 O24",
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"formula_anonymous": "A5B7C12",
"energy": -339.14637879,
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"updated_at": "2021-11-28T01:38:19.118000Z",
"spacegroup": 12
},
{
"id": "mp-767076",
"created_at": "2022-09-04T14:47:43.486033Z",
"structure_string": "Sn4 P8 O24\n1.0\n15.045071 0.000000 0.000000\n0.000000 5.297858 0.000000\n0.000000 2.731142 7.628048\nSn P O\n4 8 24\ndirect\n0.562468 0.612227 0.731436 Sn\n0.062468 0.387773 0.768564 Sn\n0.937532 0.612227 0.231436 Sn\n0.437532 0.387773 0.268564 Sn\n0.163734 0.017384 0.561464 P\n0.343646 0.966037 0.701255 P\n0.843646 0.033963 0.798745 P\n0.663734 0.982616 0.938536 P\n0.336266 0.017384 0.061463 P\n0.156354 0.966037 0.201255 P\n0.656354 0.033963 0.298745 P\n0.836266 0.982616 0.438536 P\n0.632697 0.789711 0.452334 O\n0.248954 0.846861 0.661212 O\n0.082994 0.841305 0.624674 O\n0.407261 0.736109 0.765190 O\n0.160934 0.287184 0.588696 O\n0.814789 0.927751 0.640091 O\n0.907261 0.263891 0.734810 O\n0.582994 0.158695 0.875326 O\n0.748954 0.153139 0.838788 O\n0.314789 0.072249 0.859909 O\n0.132697 0.210289 0.047666 O\n0.660934 0.712816 0.911304 O\n0.339066 0.287184 0.088696 O\n0.867303 0.789711 0.952334 O\n0.685211 0.927751 0.140091 O\n0.251046 0.846861 0.161212 O\n0.417006 0.841305 0.124674 O\n0.092739 0.736109 0.265190 O\n0.185211 0.072249 0.359909 O\n0.839066 0.712816 0.411304 O\n0.592739 0.263891 0.234810 O\n0.917006 0.158695 0.375326 O\n0.751046 0.153139 0.338788 O\n0.367303 0.210289 0.547666 O\n",
"nsites": 36,
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"elements": [
"Sn",
"P",
"O"
],
"chemical_system": "O-P-Sn",
"density": 3.022302642986274,
"density_atomic": 0.05920992737303751,
"volume": 608.0061502725869,
"volume_molar": 10.170829499686752,
"formula_full": "Sn4 P8 O24",
"formula_reduced": "Sn(PO3)2",
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"energy": -263.64088789,
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"updated_at": "2021-11-28T01:38:16.816000Z",
"spacegroup": 14
},
{
"id": "mp-560327",
"created_at": "2022-09-04T14:47:43.498893Z",
"structure_string": "Na4 Sn4 C6 O12 F6\n1.0\n6.117768 0.000000 0.000000\n1.113866 8.860731 0.000000\n1.279118 2.994931 8.778186\nNa Sn C O F\n4 4 6 12 6\ndirect\n0.706930 0.043498 0.579496 Na\n0.860084 0.737454 0.375023 Na\n0.139916 0.262546 0.624977 Na\n0.293070 0.956502 0.420504 Na\n0.837564 0.571167 0.816247 Sn\n0.826856 0.138096 0.136194 Sn\n0.173144 0.861904 0.863806 Sn\n0.162436 0.428833 0.183753 Sn\n0.412769 0.606623 0.334101 C\n0.397885 0.495724 0.729204 C\n0.416063 0.075051 0.987074 C\n0.583937 0.924949 0.012926 C\n0.587231 0.393377 0.665899 C\n0.602115 0.504276 0.270796 C\n0.787012 0.418086 0.677546 O\n0.455669 0.590201 0.790547 O\n0.753186 0.922224 0.080743 O\n0.456616 0.184466 0.033567 O\n0.543384 0.815534 0.966433 O\n0.797662 0.523880 0.285171 O\n0.462505 0.703616 0.391488 O\n0.246814 0.077776 0.919257 O\n0.212988 0.581914 0.322454 O\n0.544331 0.409799 0.209453 O\n0.202338 0.476120 0.714829 O\n0.537495 0.296384 0.608512 O\n0.132712 0.233320 0.384923 F\n0.867288 0.766680 0.615077 F\n0.939785 0.044914 0.742086 F\n0.060215 0.955086 0.257914 F\n0.363033 0.957984 0.654994 F\n0.636967 0.042016 0.345006 F\n",
"nsites": 32,
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"elements": [
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"Sn",
"C",
"O",
"F"
],
"chemical_system": "C-F-Na-O-Sn",
"density": 3.2971827566704115,
"density_atomic": 0.06724850652481366,
"volume": 475.8469987462471,
"volume_molar": 8.95505502085451,
"formula_full": "Na4 Sn4 C6 O12 F6",
"formula_reduced": "Na2Sn2C3(O2F)3",
"formula_anonymous": "A2B2C3D3E6",
"energy": -212.37773246,
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"updated_at": "2021-11-28T01:38:22.300000Z",
"spacegroup": 2
},
{
"id": "mp-695291",
"created_at": "2022-09-04T14:47:43.511054Z",
"structure_string": "Li25 Ca5 La7 Nb8 O48\n1.0\n10.687969 -0.067802 -3.750463\n-5.367452 9.285030 -3.639502\n-0.039704 0.068206 11.129523\nLi Ca La Nb O\n25 5 7 8 48\ndirect\n0.250585 0.628224 0.384588 Li\n0.364685 0.230561 0.619162 Li\n0.535858 0.726403 0.381608 Li\n0.684985 0.649183 0.295321 Li\n0.728176 0.904794 0.322504 Li\n0.295659 0.140338 0.900684 Li\n0.483332 0.415864 0.157751 Li\n0.814454 0.884943 0.141271 Li\n0.848251 0.483745 0.680705 Li\n0.651989 0.354309 0.243218 Li\n0.836932 0.279470 0.705750 Li\n0.585274 0.328969 0.463167 Li\n0.606977 0.316239 0.667692 Li\n0.884099 0.431248 0.256910 Li\n0.066277 0.088869 0.805690 Li\n0.772028 0.967808 0.561104 Li\n0.136228 0.753185 0.877577 Li\n0.658890 0.522739 0.430987 Li\n0.483050 0.709726 0.865404 Li\n0.899601 0.144332 0.780100 Li\n0.847791 0.131978 0.946529 Li\n0.145034 0.889022 0.268608 Li\n0.572152 0.721760 0.100163 Li\n0.845534 0.152884 0.163870 Li\n0.006733 0.368675 0.146240 Li\n0.132670 0.249085 0.379031 Ca\n0.631899 0.241488 0.898498 Ca\n0.767448 0.636489 0.876627 Ca\n0.763968 0.170796 0.393385 Ca\n0.898289 0.652284 0.244695 Ca\n0.153454 0.385684 0.762383 La\n0.262535 0.880333 0.634743 La\n0.614347 0.859071 0.730135 La\n0.231986 0.370509 0.121602 La\n0.364228 0.759157 0.139958 La\n0.356225 0.102606 0.210741 La\n0.900051 0.766721 0.628020 La\n0.022066 0.018647 0.507198 Nb\n0.997291 0.983607 0.999391 Nb\n0.481064 0.499995 0.524049 Nb\n0.514935 0.013782 0.509917 Nb\n0.515406 0.474137 0.965224 Nb\n0.512665 0.995253 0.003755 Nb\n0.040434 0.510634 0.529409 Nb\n0.001256 0.524334 0.006284 Nb\n0.110807 0.980858 0.682390 O\n0.020343 0.330261 0.923869 O\n0.131583 0.600055 0.931159 O\n0.084761 0.699049 0.676078 O\n0.085554 0.895384 0.415458 O\n0.089768 0.611246 0.420282 O\n0.194460 0.483124 0.603804 O\n0.432590 0.832274 0.802686 O\n0.326058 0.332517 0.939973 O\n0.407068 0.572100 0.914282 O\n0.012520 0.196088 0.122848 O\n0.345370 0.932333 0.309566 O\n0.182162 0.210120 0.584420 O\n0.186366 0.570483 0.179964 O\n0.418939 0.831214 0.523709 O\n0.300008 0.467994 0.382585 O\n0.332884 0.907007 0.025877 O\n0.118755 0.022197 0.194522 O\n0.424117 0.077629 0.890728 O\n0.526307 0.619736 0.712454 O\n0.543794 0.389568 0.811639 O\n0.400669 0.303262 0.488765 O\n0.601151 0.920662 0.395812 O\n0.184457 0.118666 0.009141 O\n0.802167 0.878799 0.967218 O\n0.447807 0.104300 0.631399 O\n0.614959 0.679450 0.521829 O\n0.490934 0.607829 0.190676 O\n0.482378 0.361410 0.298055 O\n0.584967 0.889101 0.103861 O\n0.886275 0.985054 0.804129 O\n0.688843 0.090049 0.982842 O\n0.691216 0.515308 0.611974 O\n0.616784 0.192357 0.499530 O\n0.818965 0.432718 0.820773 O\n0.827751 0.842751 0.441367 O\n0.699772 0.082326 0.697859 O\n0.981538 0.805403 0.880773 O\n0.705026 0.670071 0.080775 O\n0.618573 0.421504 0.099560 O\n0.591023 0.161177 0.200901 O\n0.812237 0.559029 0.396332 O\n0.935700 0.391894 0.606770 O\n0.960842 0.134749 0.642834 O\n0.919034 0.321569 0.339663 O\n0.877172 0.425066 0.084515 O\n0.992460 0.692412 0.097699 O\n0.904393 0.039466 0.340003 O\n",
"nsites": 93,
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"density_atomic": 0.08431120004000918,
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"formula_full": "Li25 Ca5 La7 Nb8 O48",
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"spacegroup": 1
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{
"id": "mp-772991",
"created_at": "2022-09-04T14:47:43.561475Z",
"structure_string": "Er8 Bi8 O28\n1.0\n7.329618 0.000000 0.000000\n0.000000 7.329618 0.000000\n0.000000 0.000000 13.118851\nEr Bi O\n8 8 28\ndirect\n0.150612 0.120118 0.640361 Er\n0.120118 0.849388 0.390361 Er\n0.377003 0.350538 0.859699 Er\n0.350538 0.622997 0.609699 Er\n0.649462 0.377003 0.109699 Er\n0.622997 0.649462 0.359699 Er\n0.879882 0.150612 0.890361 Er\n0.849388 0.879882 0.140361 Er\n0.122985 0.380618 0.097549 Bi\n0.124494 0.380186 0.408717 Bi\n0.380618 0.877015 0.847549 Bi\n0.380186 0.875506 0.158717 Bi\n0.619814 0.124494 0.658717 Bi\n0.619382 0.122985 0.347549 Bi\n0.875506 0.619814 0.908717 Bi\n0.877015 0.619382 0.597549 Bi\n0.074838 0.405122 0.913560 O\n0.091833 0.819761 0.573675 O\n0.108302 0.415701 0.579301 O\n0.168207 0.113159 0.466847 O\n0.180239 0.091833 0.823675 O\n0.113159 0.831793 0.216847 O\n0.178722 0.314904 0.257821 O\n0.314904 0.821278 0.007821 O\n0.390773 0.323828 0.029155 O\n0.318260 0.588929 0.424168 O\n0.323828 0.609227 0.779155 O\n0.405122 0.925162 0.663560 O\n0.411071 0.318260 0.674168 O\n0.415701 0.891698 0.329301 O\n0.584299 0.108302 0.829301 O\n0.588929 0.681740 0.174168 O\n0.594878 0.074838 0.163560 O\n0.676172 0.390773 0.279155 O\n0.681740 0.411071 0.924168 O\n0.609227 0.676172 0.529155 O\n0.685096 0.178722 0.507821 O\n0.821278 0.685096 0.757821 O\n0.886841 0.168207 0.716847 O\n0.819761 0.908167 0.323675 O\n0.831793 0.886841 0.966847 O\n0.891698 0.584299 0.079301 O\n0.908167 0.180239 0.073675 O\n0.925162 0.594878 0.413560 O\n",
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"formula_full": "Er8 Bi8 O28",
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{
"id": "mp-1032691",
"created_at": "2022-09-04T14:47:43.586717Z",
"structure_string": "Mg6 Fe1 Sn1 O8\n1.0\n8.823587 0.000000 0.000000\n0.000000 4.473225 0.000000\n0.000000 0.000000 4.473225\nMg Fe Sn O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.237613 0.000000 0.500000 Mg\n0.762387 0.000000 0.500000 Mg\n0.237613 0.500000 0.000000 Mg\n0.762387 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Sn\n0.229462 0.000000 0.000000 O\n0.770538 0.000000 0.000000 O\n0.248286 0.500000 0.500000 O\n0.751714 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Sb14\n1.0\n-6.714481 0.000000 0.000000\n-0.112697 -8.757291 0.000000\n2.881934 2.609563 8.226393\nSb\n14\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.380423 0.244926 0.126411 Sb\n0.619577 0.755074 0.873589 Sb\n0.902526 0.205171 0.763959 Sb\n0.097474 0.794829 0.236041 Sb\n0.030873 0.622615 0.880871 Sb\n0.969127 0.377385 0.119129 Sb\n0.576532 0.338515 0.474819 Sb\n0.423468 0.661485 0.525181 Sb\n0.267738 0.268256 0.664145 Sb\n0.732262 0.731744 0.335855 Sb\n",
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