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{
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{
"id": "mp-674645",
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"structure_string": "Na6 Nd10 Cl30\n1.0\n8.898005 0.000000 0.000000\n-1.877813 8.710744 0.000000\n-1.514471 -1.908295 13.990930\nNa Nd Cl\n6 10 30\ndirect\n0.584924 0.586098 0.913883 Na\n0.415076 0.413902 0.086117 Na\n0.248739 0.250508 0.249442 Na\n0.913762 0.914788 0.585924 Na\n0.086238 0.085212 0.414076 Na\n0.751261 0.749492 0.750558 Na\n0.982317 0.317000 0.852873 Nd\n0.218986 0.884529 0.946563 Nd\n0.781014 0.115471 0.053437 Nd\n0.017683 0.683000 0.147127 Nd\n0.582862 0.916883 0.249220 Nd\n0.814926 0.482687 0.350859 Nd\n0.385753 0.717435 0.446822 Nd\n0.614247 0.282565 0.553178 Nd\n0.185074 0.517313 0.649141 Nd\n0.417138 0.083117 0.750780 Nd\n0.253677 0.563817 0.856878 Cl\n0.671235 0.287229 0.906512 Cl\n0.917173 0.000644 0.889330 Cl\n0.068507 0.362660 0.060332 Cl\n0.284564 0.208149 0.911880 Cl\n0.470581 0.101162 0.106395 Cl\n0.529419 0.898838 0.893605 Cl\n0.715436 0.791851 0.088120 Cl\n0.871589 0.161090 0.260237 Cl\n0.931493 0.637340 0.939668 Cl\n0.082827 0.999356 0.110670 Cl\n0.273872 0.900074 0.306068 Cl\n0.328765 0.712771 0.093488 Cl\n0.511265 0.585486 0.282984 Cl\n0.661677 0.961792 0.456563 Cl\n0.746323 0.436183 0.143122 Cl\n0.885427 0.799485 0.313581 Cl\n0.078713 0.691815 0.505939 Cl\n0.124817 0.513928 0.294886 Cl\n0.313140 0.391776 0.484371 Cl\n0.454627 0.763008 0.655451 Cl\n0.545373 0.236992 0.344549 Cl\n0.686860 0.608224 0.515629 Cl\n0.875183 0.486072 0.705114 Cl\n0.921287 0.308185 0.494061 Cl\n0.114573 0.200515 0.686419 Cl\n0.338323 0.038208 0.543437 Cl\n0.488735 0.414514 0.717016 Cl\n0.726128 0.099926 0.693932 Cl\n0.128411 0.838910 0.739763 Cl\n",
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"formula_full": "Na6 Nd10 Cl30",
"formula_reduced": "Na3Nd5Cl15",
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},
{
"id": "mp-759954",
"created_at": "2022-09-04T14:47:21.390173Z",
"structure_string": "Li6 Mn10 F30\n1.0\n13.063082 0.000000 0.000000\n0.000000 13.063082 0.000000\n0.000000 0.000000 3.942685\nLi Mn F\n6 10 30\ndirect\n0.000000 0.000000 0.673442 Li\n0.662121 0.162121 0.629707 Li\n0.162121 0.337879 0.629707 Li\n0.500000 0.500000 0.673442 Li\n0.837879 0.662121 0.629707 Li\n0.337879 0.837879 0.629707 Li\n0.500000 0.000000 0.583445 Mn\n0.212673 0.079923 0.598249 Mn\n0.920077 0.212673 0.598249 Mn\n0.420077 0.287327 0.598249 Mn\n0.712673 0.420077 0.598249 Mn\n0.000000 0.500000 0.583445 Mn\n0.287327 0.579923 0.598249 Mn\n0.579923 0.712673 0.598249 Mn\n0.079923 0.787327 0.598249 Mn\n0.787327 0.920077 0.598249 Mn\n0.500000 0.000000 0.084894 F\n0.659484 0.014960 0.593810 F\n0.868036 0.062913 0.612631 F\n0.215539 0.081769 0.099178 F\n0.062913 0.131964 0.612631 F\n0.514960 0.159484 0.593810 F\n0.918231 0.215539 0.099178 F\n0.263916 0.236084 0.599861 F\n0.763916 0.263916 0.599861 F\n0.418231 0.284461 0.099178 F\n0.014960 0.340516 0.593810 F\n0.562913 0.368036 0.612631 F\n0.715539 0.418231 0.099178 F\n0.368036 0.437087 0.612631 F\n0.159484 0.485040 0.593810 F\n0.000000 0.500000 0.084894 F\n0.840516 0.514960 0.593810 F\n0.631964 0.562913 0.612631 F\n0.284461 0.581769 0.099178 F\n0.437087 0.631964 0.612631 F\n0.985040 0.659484 0.593810 F\n0.581769 0.715539 0.099178 F\n0.236084 0.736084 0.599861 F\n0.736084 0.763916 0.599861 F\n0.081769 0.784461 0.099178 F\n0.485040 0.840516 0.593810 F\n0.937087 0.868036 0.612631 F\n0.784461 0.918231 0.099178 F\n0.131964 0.937087 0.612631 F\n0.340516 0.985040 0.593810 F\n",
"nsites": 46,
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],
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"volume": 672.7959781135171,
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"formula_full": "Li6 Mn10 F30",
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},
{
"id": "mp-768083",
"created_at": "2022-09-04T14:42:56.930175Z",
"structure_string": "Li5 La3 Nb14 O42\n1.0\n2.815502 8.494933 0.000000\n-2.815502 8.494933 0.000000\n0.000000 1.966139 18.587476\nLi La Nb O\n5 3 14 42\ndirect\n0.571710 0.571710 0.857318 Li\n0.428290 0.428290 0.142682 Li\n0.500000 0.500000 0.500000 Li\n0.286663 0.286663 0.427778 Li\n0.713337 0.713337 0.572222 Li\n0.143089 0.143089 0.713581 La\n0.000000 0.000000 0.000000 La\n0.856911 0.856911 0.286419 La\n0.610566 0.610566 0.036315 Nb\n0.753994 0.753994 0.751071 Nb\n0.389434 0.389434 0.963685 Nb\n0.182029 0.182029 0.893536 Nb\n0.961396 0.961396 0.820966 Nb\n0.246006 0.246006 0.248929 Nb\n0.038604 0.038604 0.179034 Nb\n0.467210 0.467210 0.321671 Nb\n0.817971 0.817971 0.106464 Nb\n0.892288 0.892288 0.467002 Nb\n0.107712 0.107712 0.532998 Nb\n0.676798 0.676798 0.392720 Nb\n0.532790 0.532790 0.678329 Nb\n0.323202 0.323202 0.607280 Nb\n0.642638 0.642638 0.714061 O\n0.254065 0.766841 0.751782 O\n0.376074 0.888430 0.962751 O\n0.182014 0.693162 0.897952 O\n0.766841 0.254065 0.751782 O\n0.142963 0.142963 0.214103 O\n0.071310 0.071310 0.857455 O\n0.857037 0.857037 0.785897 O\n0.500000 0.500000 0.000000 O\n0.285756 0.285756 0.928499 O\n0.693162 0.182014 0.897952 O\n0.449366 0.960733 0.816454 O\n0.306838 0.817986 0.102048 O\n0.888430 0.376074 0.962751 O\n0.623926 0.111570 0.037249 O\n0.233159 0.745935 0.248218 O\n0.960733 0.449366 0.816454 O\n0.817986 0.306838 0.102048 O\n0.745935 0.233159 0.248218 O\n0.569269 0.569269 0.362778 O\n0.357362 0.357362 0.285939 O\n0.550634 0.039267 0.183546 O\n0.169284 0.673595 0.389199 O\n0.928690 0.928690 0.142545 O\n0.714244 0.714244 0.071501 O\n0.111570 0.623926 0.037249 O\n0.326405 0.830716 0.610801 O\n0.673595 0.169284 0.389199 O\n0.039267 0.550634 0.183546 O\n0.480407 0.969377 0.322483 O\n0.969377 0.480407 0.322483 O\n0.211933 0.211933 0.576019 O\n0.596255 0.105873 0.532328 O\n0.403745 0.894127 0.467672 O\n0.000000 0.000000 0.500000 O\n0.788067 0.788067 0.423981 O\n0.430731 0.430731 0.637222 O\n0.830716 0.326405 0.610801 O\n0.105873 0.596255 0.532328 O\n0.894127 0.403745 0.467672 O\n0.519593 0.030623 0.677517 O\n0.030623 0.519593 0.677517 O\n",
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"formula_full": "Li5 La3 Nb14 O42",
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},
{
"id": "mp-1195932",
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"structure_string": "Sc6 H40 N10 F28\n1.0\n8.204084 0.000000 0.000000\n0.000000 8.204084 0.000000\n-4.102042 -4.102042 12.712401\nSc H N F\n6 40 10 28\ndirect\n0.501568 0.001568 0.003135 Sc\n0.748432 0.748432 0.496865 Sc\n0.998432 0.498432 0.996865 Sc\n0.251568 0.251568 0.503135 Sc\n0.250000 0.750000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.669037 0.263008 0.545913 H\n0.876876 0.282905 0.545913 H\n0.373124 0.467095 0.954087 H\n0.580963 0.486992 0.954087 H\n0.717095 0.330963 0.454087 H\n0.736992 0.123124 0.454087 H\n0.513008 0.626876 0.045913 H\n0.532905 0.419037 0.045913 H\n0.295567 0.349673 0.287503 H\n0.991935 0.937830 0.287503 H\n0.258065 0.812170 0.212497 H\n0.954433 0.400327 0.212497 H\n0.062170 0.704433 0.712497 H\n0.650327 0.008065 0.712497 H\n0.599673 0.741935 0.787503 H\n0.187830 0.045567 0.787503 H\n0.477559 0.449460 0.292234 H\n0.814675 0.842774 0.292234 H\n0.435325 0.907226 0.207766 H\n0.772441 0.300540 0.207766 H\n0.157226 0.522441 0.707766 H\n0.550540 0.185325 0.707766 H\n0.699460 0.564675 0.792234 H\n0.092774 0.227559 0.792234 H\n0.389633 0.273612 0.193135 H\n0.803501 0.919522 0.193134 H\n0.446499 0.830478 0.306865 H\n0.860367 0.476388 0.306866 H\n0.080478 0.610367 0.806865 H\n0.726388 0.196499 0.806865 H\n0.523612 0.553501 0.693135 H\n0.169522 0.139633 0.693134 H\n0.292268 0.454096 0.195412 H\n0.903144 0.741316 0.195412 H\n0.346856 0.008684 0.304588 H\n0.957732 0.295904 0.304588 H\n0.258684 0.707732 0.804588 H\n0.545904 0.096856 0.804588 H\n0.704096 0.653144 0.695412 H\n0.991316 0.042268 0.695412 H\n0.750000 0.250000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.632363 0.631727 0.742845 N\n0.110481 0.111118 0.742845 N\n0.139519 0.638882 0.757155 N\n0.617637 0.118273 0.757155 N\n0.888882 0.367637 0.257155 N\n0.368273 0.889519 0.257155 N\n0.881727 0.860481 0.242845 N\n0.361118 0.382363 0.242845 N\n0.119499 0.443438 0.883169 F\n0.763669 0.439731 0.883169 F\n0.486331 0.310269 0.616831 F\n0.130501 0.306562 0.616831 F\n0.560269 0.880501 0.116831 F\n0.556562 0.236331 0.116831 F\n0.693438 0.513669 0.383169 F\n0.689731 0.869499 0.383169 F\n0.228541 0.553636 0.108592 F\n0.880051 0.554956 0.108592 F\n0.369949 0.195044 0.391408 F\n0.021459 0.196364 0.391408 F\n0.445044 0.771459 0.891408 F\n0.446364 0.119949 0.891408 F\n0.803636 0.630051 0.608592 F\n0.804956 0.978541 0.608592 F\n0.499380 0.749143 0.496324 F\n0.996944 0.747182 0.496324 F\n0.253056 0.002818 0.003676 F\n0.750620 0.000857 0.003676 F\n0.252818 0.500620 0.503676 F\n0.250857 0.003056 0.503676 F\n0.999143 0.746944 0.996324 F\n0.997182 0.249380 0.996324 F\n0.328137 0.828137 0.656274 F\n0.921863 0.921863 0.843726 F\n0.171863 0.671863 0.343726 F\n0.078137 0.078137 0.156274 F\n",
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},
{
"id": "mp-780730",
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"structure_string": "Li20 V12 F56\n1.0\n7.288496 0.000000 0.000000\n0.000000 11.628954 0.000000\n0.000000 0.000000 12.535883\nLi V F\n20 12 56\ndirect\n0.002726 0.009956 0.009958 Li\n0.807584 0.091259 0.267643 Li\n0.312229 0.090525 0.264685 Li\n0.801387 0.221508 0.012350 Li\n0.818116 0.217137 0.494103 Li\n0.318116 0.282863 0.994103 Li\n0.301387 0.278492 0.512350 Li\n0.812229 0.409475 0.764685 Li\n0.307584 0.408741 0.767643 Li\n0.502726 0.490044 0.509958 Li\n0.497274 0.509956 0.009958 Li\n0.692416 0.591259 0.267643 Li\n0.187771 0.590525 0.264685 Li\n0.698613 0.721508 0.012350 Li\n0.681884 0.717137 0.494103 Li\n0.181884 0.782863 0.994103 Li\n0.198613 0.778492 0.512350 Li\n0.687771 0.909475 0.764685 Li\n0.192416 0.908741 0.767643 Li\n0.997274 0.990044 0.509958 Li\n0.501488 0.001232 0.495975 V\n0.000764 0.156337 0.750759 V\n0.500160 0.171493 0.747391 V\n0.000160 0.328507 0.247391 V\n0.500764 0.343663 0.250759 V\n0.001488 0.498768 0.995975 V\n0.998512 0.501232 0.495975 V\n0.499236 0.656337 0.750759 V\n0.999840 0.671493 0.747391 V\n0.499840 0.828507 0.247391 V\n0.999236 0.843663 0.250759 V\n0.498512 0.998768 0.995975 V\n0.930589 0.991352 0.750186 F\n0.732755 0.066428 0.440358 F\n0.727322 0.065874 0.048313 F\n0.579948 0.051564 0.848386 F\n0.582582 0.062251 0.639451 F\n0.355762 0.133972 0.454426 F\n0.353237 0.130683 0.037462 F\n0.256818 0.089936 0.748087 F\n0.994303 0.143474 0.907497 F\n0.994305 0.142718 0.592502 F\n0.577021 0.182928 0.250191 F\n0.936328 0.222643 0.358389 F\n0.933044 0.216308 0.142740 F\n0.753269 0.237886 0.750422 F\n0.253269 0.262114 0.250422 F\n0.433044 0.283692 0.642740 F\n0.436328 0.277357 0.858389 F\n0.077021 0.317072 0.750191 F\n0.494305 0.357282 0.092502 F\n0.494303 0.356526 0.407497 F\n0.853237 0.369317 0.537462 F\n0.756818 0.410064 0.248087 F\n0.855762 0.366028 0.954426 F\n0.082582 0.437749 0.139451 F\n0.079948 0.448436 0.348386 F\n0.227322 0.434126 0.548313 F\n0.232755 0.433572 0.940358 F\n0.430589 0.508648 0.250186 F\n0.569411 0.491352 0.750186 F\n0.767245 0.566428 0.440358 F\n0.772678 0.565874 0.048313 F\n0.920052 0.551564 0.848386 F\n0.917418 0.562251 0.639451 F\n0.144238 0.633972 0.454426 F\n0.146763 0.630683 0.037462 F\n0.243182 0.589936 0.748087 F\n0.505697 0.643474 0.907497 F\n0.505695 0.642718 0.592502 F\n0.922979 0.682928 0.250191 F\n0.563672 0.722643 0.358389 F\n0.566956 0.716308 0.142740 F\n0.746731 0.737886 0.750422 F\n0.246731 0.762114 0.250422 F\n0.066956 0.783692 0.642740 F\n0.063672 0.777357 0.858389 F\n0.422979 0.817072 0.750191 F\n0.005695 0.857282 0.092502 F\n0.005697 0.856526 0.407497 F\n0.646763 0.869317 0.537462 F\n0.743182 0.910064 0.248087 F\n0.644238 0.866028 0.954426 F\n0.417418 0.937749 0.139451 F\n0.420052 0.948436 0.348386 F\n0.272678 0.934126 0.548313 F\n0.267245 0.933572 0.940358 F\n0.069411 0.008648 0.250186 F\n",
"nsites": 88,
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"formula_full": "Li20 V12 F56",
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},
{
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