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{
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{
"id": "mp-1174607",
"created_at": "2022-09-04T14:47:07.569912Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.094673 0.000000 0.000000\n2.384505 7.268646 0.000000\n1.562602 3.464553 6.735079\nLi Mn Co O\n8 2 4 14\ndirect\n0.503104 0.853342 0.213250 Li\n0.494267 0.002392 0.503721 Li\n0.511527 0.568893 0.638544 Li\n0.493920 0.714091 0.929160 Li\n0.496487 0.291829 0.070015 Li\n0.499203 0.419835 0.366935 Li\n0.499811 0.151846 0.774518 Li\n0.003626 0.286930 0.569764 Li\n0.003118 0.998979 0.997386 Mn\n0.998268 0.143815 0.288162 Mn\n0.000096 0.431932 0.848435 Co\n0.999111 0.564875 0.154934 Co\n0.007767 0.710730 0.430741 Co\n0.990291 0.863024 0.711333 Co\n0.769404 0.864514 0.962791 O\n0.789088 0.990530 0.244495 O\n0.784075 0.583645 0.381731 O\n0.758903 0.716093 0.684718 O\n0.775597 0.273326 0.839322 O\n0.771561 0.409896 0.120413 O\n0.766335 0.137588 0.518143 O\n0.221328 0.868270 0.458628 O\n0.219997 0.992424 0.764862 O\n0.217571 0.567636 0.902531 O\n0.234053 0.729931 0.164112 O\n0.232213 0.276809 0.314798 O\n0.235856 0.450043 0.602102 O\n0.223422 0.136782 0.044456 O\n",
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{
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"structure_string": "Li8 Fe4 Si4 O16\n1.0\n5.057749 0.000000 0.000000\n0.000000 6.295766 0.000000\n0.000000 0.000000 11.010636\nLi Fe Si O\n8 4 4 16\ndirect\n0.264865 0.749075 0.923253 Li\n0.763905 0.503293 0.841078 Li\n0.263905 0.003293 0.658922 Li\n0.764865 0.249075 0.576747 Li\n0.264865 0.750925 0.423253 Li\n0.763905 0.996707 0.341078 Li\n0.263905 0.496707 0.158922 Li\n0.764865 0.250925 0.076747 Li\n0.262667 0.489826 0.667048 Fe\n0.262667 0.010174 0.167048 Fe\n0.762667 0.989826 0.832952 Fe\n0.762667 0.510174 0.332952 Fe\n0.257965 0.251255 0.912404 Si\n0.757965 0.751255 0.587596 Si\n0.257965 0.248745 0.412404 Si\n0.757965 0.748745 0.087596 Si\n0.867878 0.753410 0.946078 O\n0.931600 0.250875 0.912309 O\n0.363740 0.470530 0.844223 O\n0.357754 0.036056 0.837757 O\n0.863740 0.970530 0.655777 O\n0.857754 0.536056 0.662243 O\n0.431600 0.750875 0.587691 O\n0.367878 0.253410 0.553922 O\n0.867878 0.746590 0.446078 O\n0.931600 0.249125 0.412309 O\n0.363740 0.029470 0.344223 O\n0.357754 0.463944 0.337757 O\n0.863740 0.529470 0.155777 O\n0.857754 0.963944 0.162243 O\n0.431600 0.749125 0.087691 O\n0.367878 0.246590 0.053922 O\n",
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"O"
],
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"density": 3.0654656835293603,
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"volume": 350.6051219090467,
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"formula_full": "Li8 Fe4 Si4 O16",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
"energy": -231.86981158,
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"spacegroup": 33
},
{
"id": "mp-1216477",
"created_at": "2022-09-04T14:47:07.585318Z",
"structure_string": "V8 Ga3 Mo4 S24\n1.0\n6.861947 0.000000 0.000000\n-0.168371 9.753979 0.000000\n-3.358179 -4.861032 10.392007\nV Ga Mo S\n8 3 4 24\ndirect\n0.412326 0.801774 0.807841 V\n0.745831 0.135850 0.474992 V\n0.930670 0.323776 0.859990 V\n0.270548 0.660995 0.525954 V\n0.603795 0.993883 0.191825 V\n0.791042 0.605767 0.001142 V\n0.127999 0.943282 0.666377 V\n0.462525 0.276089 0.333665 V\n0.004487 0.000877 0.999879 Ga\n0.338052 0.335255 0.667252 Ga\n0.671975 0.670043 0.334684 Ga\n0.206966 0.602352 0.002377 Mo\n0.529695 0.931211 0.666533 Mo\n0.863275 0.264938 0.333830 Mo\n0.070670 0.467466 0.136127 Mo\n0.727903 0.863316 0.999602 S\n0.060785 0.197652 0.666737 S\n0.396082 0.531163 0.334311 S\n0.578346 0.713717 0.152210 S\n0.908655 0.044533 0.817421 S\n0.241896 0.379049 0.484563 S\n0.426252 0.562025 0.848979 S\n0.757380 0.895501 0.516083 S\n0.091713 0.226602 0.182582 S\n0.275116 0.863662 0.999852 S\n0.606788 0.196219 0.666362 S\n0.939975 0.530621 0.334594 S\n0.734668 0.369423 0.995617 S\n0.084421 0.709113 0.667021 S\n0.418583 0.041993 0.333581 S\n0.908633 0.540643 0.826908 S\n0.233895 0.872288 0.488860 S\n0.567089 0.205840 0.155988 S\n0.082572 0.722876 0.174949 S\n0.411181 0.049102 0.843950 S\n0.745264 0.383728 0.511409 S\n0.260711 0.363910 0.995434 S\n0.589753 0.694901 0.666790 S\n0.922482 0.028565 0.333728 S\n",
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"elements": [
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"S"
],
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"formula_full": "V8 Ga3 Mo4 S24",
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"spacegroup": 1
},
{
"id": "mp-1223413",
"created_at": "2022-09-04T14:47:07.589121Z",
"structure_string": "La10 Fe8 Ni2 O30\n1.0\n0.000000 5.564435 0.000000\n2.811314 -2.782218 -19.802830\n-5.624762 0.000000 -0.000284\nLa Fe Ni O\n10 8 2 30\ndirect\n0.451628 0.903256 0.443250 La\n0.249594 0.499187 0.239820 La\n0.850448 0.700897 0.840470 La\n0.049864 0.099728 0.039959 La\n0.648349 0.296698 0.637829 La\n0.550136 0.100272 0.560041 La\n0.350406 0.700813 0.360180 La\n0.951651 0.903302 0.962171 La\n0.148372 0.296744 0.156750 La\n0.749552 0.499103 0.759530 La\n0.699626 0.399252 0.199986 Fe\n0.300000 0.600000 0.800000 Fe\n0.900374 0.800748 0.400014 Fe\n0.599274 0.198549 0.099678 Fe\n0.199276 0.398552 0.699242 Fe\n0.800000 0.600000 0.300000 Fe\n0.400724 0.801448 0.900758 Fe\n0.000726 0.001451 0.500322 Fe\n0.500059 0.000118 0.999970 Ni\n0.099941 0.199882 0.600030 Ni\n0.743495 0.981636 0.244426 O\n0.539922 0.580119 0.040023 O\n0.139886 0.779935 0.639688 O\n0.342822 0.181681 0.844761 O\n0.939769 0.380282 0.439868 O\n0.761142 0.018319 0.755239 O\n0.559803 0.619881 0.559977 O\n0.159487 0.819718 0.160132 O\n0.361859 0.218364 0.355574 O\n0.959951 0.420065 0.960312 O\n0.257178 0.018319 0.755239 O\n0.060078 0.619881 0.559977 O\n0.660231 0.819718 0.160132 O\n0.856505 0.218364 0.355574 O\n0.460114 0.420065 0.960312 O\n0.238141 0.981636 0.244426 O\n0.040197 0.580119 0.040023 O\n0.640049 0.779935 0.639688 O\n0.838858 0.181681 0.844761 O\n0.440513 0.380282 0.439868 O\n0.550392 0.100783 0.135600 O\n0.150516 0.301033 0.736370 O\n0.749982 0.499965 0.337714 O\n0.350118 0.700237 0.937226 O\n0.950014 0.900028 0.536693 O\n0.649986 0.299972 0.063307 O\n0.249882 0.499763 0.662774 O\n0.850018 0.700035 0.262286 O\n0.449484 0.898967 0.863630 O\n0.049608 0.099217 0.464400 O\n",
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],
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"formula_full": "La10 Fe8 Ni2 O30",
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{
"id": "mp-4047",
"created_at": "2022-09-04T14:47:07.591761Z",
"structure_string": "Cs2 Si1 F6\n1.0\n0.000000 4.535773 4.535773\n4.535773 0.000000 4.535773\n4.535773 4.535773 0.000000\nCs Si F\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Si\n0.809723 0.190277 0.809723 F\n0.190277 0.190277 0.809723 F\n0.809723 0.809723 0.190277 F\n0.190277 0.809723 0.190277 F\n0.190277 0.809723 0.809723 F\n0.809723 0.190277 0.190277 F\n",
"nsites": 9,
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"volume": 186.63106316123785,
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"formula_full": "Cs2 Si1 F6",
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{
"id": "mp-773423",
"created_at": "2022-09-04T14:47:07.595694Z",
"structure_string": "Li8 V12 W4 O32\n1.0\n8.620417 -0.001215 0.001218\n-0.001216 8.585554 -0.000685\n0.001481 -0.001242 8.614066\nLi V W O\n8 12 4 32\ndirect\n0.998732 0.999568 0.999277 Li\n0.250380 0.251569 0.251321 Li\n0.249665 0.748442 0.751132 Li\n0.501061 0.000529 0.498768 Li\n0.498506 0.500402 0.000872 Li\n0.750130 0.249057 0.749101 Li\n0.749382 0.751933 0.249195 Li\n0.001143 0.499128 0.501365 Li\n0.122197 0.127913 0.626055 V\n0.122858 0.379329 0.871623 V\n0.130401 0.625878 0.120308 V\n0.369878 0.373518 0.620123 V\n0.377425 0.620621 0.370913 V\n0.378054 0.871924 0.125790 V\n0.622186 0.372076 0.373607 V\n0.622325 0.121435 0.129079 V\n0.629949 0.873592 0.879694 V\n0.870027 0.126484 0.380570 V\n0.877262 0.879175 0.628842 V\n0.877974 0.628327 0.873723 V\n0.126247 0.875410 0.375294 W\n0.373938 0.124082 0.875396 W\n0.626011 0.624199 0.624506 W\n0.873875 0.375953 0.124415 W\n0.110998 0.106742 0.380408 O\n0.118281 0.889184 0.612644 O\n0.112570 0.613342 0.887149 O\n0.140576 0.139494 0.869830 O\n0.109823 0.383812 0.112067 O\n0.137030 0.362783 0.637159 O\n0.133028 0.643726 0.363132 O\n0.139310 0.867502 0.137710 O\n0.360556 0.131969 0.637677 O\n0.366823 0.356402 0.862698 O\n0.363002 0.636906 0.137000 O\n0.391395 0.616236 0.612190 O\n0.359768 0.860105 0.369507 O\n0.387540 0.386572 0.387093 O\n0.381485 0.110545 0.112626 O\n0.389359 0.892655 0.880189 O\n0.610936 0.392991 0.619543 O\n0.618544 0.610706 0.387166 O\n0.612797 0.886972 0.112690 O\n0.638892 0.360206 0.130515 O\n0.608227 0.116341 0.887582 O\n0.637241 0.136871 0.362937 O\n0.633248 0.856196 0.636803 O\n0.639453 0.632189 0.862074 O\n0.861007 0.367745 0.362246 O\n0.867468 0.145134 0.137173 O\n0.863015 0.863216 0.862926 O\n0.891281 0.884010 0.387563 O\n0.859674 0.639781 0.630242 O\n0.887332 0.113446 0.613258 O\n0.881405 0.389704 0.887668 O\n0.888335 0.606115 0.119706 O\n",
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"density_atomic": 0.08783816560015041,
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"formula_full": "Li8 V12 W4 O32",
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"energy": -469.9096031799999,
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},
{
"id": "mp-698416",
"created_at": "2022-09-04T14:47:07.596900Z",
"structure_string": "Cd2 H24 C4 N4 Cl8\n1.0\n3.776205 -9.876550 0.000000\n3.776205 9.876550 0.000000\n0.000000 0.000000 7.537122\nCd H C N Cl\n2 24 4 4 8\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.979020 0.801408 0.529404 H\n0.801408 0.979020 0.470596 H\n0.301408 0.479020 0.029404 H\n0.479020 0.301408 0.970596 H\n0.020980 0.198592 0.470596 H\n0.198592 0.020980 0.529404 H\n0.698592 0.520980 0.970596 H\n0.520980 0.698592 0.029404 H\n0.110264 0.889736 0.340251 H\n0.889736 0.110264 0.659749 H\n0.389736 0.610264 0.840251 H\n0.610264 0.389736 0.159749 H\n0.091596 0.671157 0.482606 H\n0.671157 0.091596 0.517394 H\n0.171157 0.591596 0.982606 H\n0.591596 0.171157 0.017394 H\n0.908404 0.328843 0.517394 H\n0.328843 0.908404 0.482606 H\n0.828843 0.408404 0.017394 H\n0.408404 0.828843 0.982606 H\n0.187027 0.812973 0.681204 H\n0.812973 0.187027 0.318796 H\n0.312973 0.687027 0.181204 H\n0.687027 0.312973 0.818796 H\n0.185758 0.814242 0.535829 C\n0.814242 0.185758 0.464171 C\n0.314242 0.685758 0.035829 C\n0.685758 0.314242 0.964171 C\n0.113732 0.886268 0.479540 N\n0.886268 0.113732 0.520460 N\n0.386268 0.613732 0.979540 N\n0.613732 0.386268 0.020460 N\n0.269279 0.230721 0.750000 Cl\n0.230721 0.269279 0.250000 Cl\n0.730721 0.769279 0.250000 Cl\n0.769279 0.730721 0.750000 Cl\n0.628742 0.371258 0.442293 Cl\n0.371258 0.628742 0.557707 Cl\n0.871258 0.128742 0.942293 Cl\n0.128742 0.871258 0.057707 Cl\n",
"nsites": 42,
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"formula_full": "Cd2 H24 C4 N4 Cl8",
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{
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