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{
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{
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{
"id": "mp-9391",
"created_at": "2022-09-04T14:45:41.179606Z",
"structure_string": "Ta2 Ni4 Te6\n1.0\n3.716157 0.000000 0.000000\n0.000000 7.860205 0.000000\n0.000000 3.656863 9.878611\nTa Ni Te\n2 4 6\ndirect\n0.250000 0.788284 0.699297 Ta\n0.750000 0.211716 0.300703 Ta\n0.250000 0.404647 0.091909 Ni\n0.750000 0.595353 0.908091 Ni\n0.750000 0.037838 0.565667 Ni\n0.250000 0.962162 0.434333 Ni\n0.750000 0.942893 0.826415 Te\n0.250000 0.057107 0.173585 Te\n0.750000 0.576875 0.158015 Te\n0.250000 0.423125 0.841985 Te\n0.250000 0.276216 0.492374 Te\n0.750000 0.723784 0.507626 Te\n",
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"formula_full": "Ta2 Ni4 Te6",
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{
"id": "mp-559754",
"created_at": "2022-09-04T14:45:39.189061Z",
"structure_string": "Fe4 Te4 W2 C20 O20\n1.0\n7.359323 0.000000 0.000000\n0.754219 9.795377 0.000000\n1.701950 1.912438 14.005516\nFe Te W C O\n4 4 2 20 20\ndirect\n0.716188 0.502132 0.230073 Fe\n0.283812 0.497868 0.769927 Fe\n0.647525 0.169714 0.135416 Fe\n0.352475 0.830286 0.864584 Fe\n0.908860 0.281664 0.196031 Te\n0.091140 0.718336 0.803969 Te\n0.550979 0.616469 0.819750 Te\n0.449021 0.383531 0.180250 Te\n0.607936 0.229878 0.334565 W\n0.392064 0.770122 0.665435 W\n0.557710 0.913002 0.872989 C\n0.443945 0.371144 0.721514 C\n0.561443 0.655313 0.576378 C\n0.099306 0.453356 0.709469 C\n0.442290 0.086998 0.127011 C\n0.301029 0.762746 0.985778 C\n0.620388 0.882711 0.637213 C\n0.788341 0.011855 0.140243 C\n0.698971 0.237254 0.014222 C\n0.280553 0.968455 0.636212 C\n0.227982 0.408493 0.884885 C\n0.719447 0.031545 0.363788 C\n0.776260 0.251577 0.436448 C\n0.438557 0.344687 0.423622 C\n0.556055 0.628856 0.278486 C\n0.772018 0.591507 0.115115 C\n0.900694 0.546644 0.290531 C\n0.211659 0.988145 0.859757 C\n0.379612 0.117289 0.362787 C\n0.223740 0.748423 0.563552 C\n0.193171 0.350030 0.961130 O\n0.879061 0.909902 0.142265 O\n0.730888 0.281464 0.934301 O\n0.777541 0.919193 0.383713 O\n0.128744 0.736635 0.506241 O\n0.542833 0.285382 0.692654 O\n0.657431 0.595804 0.523269 O\n0.688569 0.966536 0.881763 O\n0.806829 0.649970 0.038870 O\n0.311431 0.033464 0.118237 O\n0.342569 0.404196 0.476731 O\n0.978446 0.423917 0.672924 O\n0.120939 0.090098 0.857735 O\n0.250917 0.052739 0.379154 O\n0.269112 0.718536 0.065699 O\n0.222459 0.080807 0.616287 O\n0.749083 0.947261 0.620846 O\n0.021554 0.576083 0.327076 O\n0.457167 0.714618 0.307346 O\n0.871256 0.263365 0.493759 O\n",
"nsites": 50,
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"elements": [
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"density_atomic": 0.04952356158275679,
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"volume_molar": 12.1601527990604,
"formula_full": "Fe4 Te4 W2 C20 O20",
"formula_reduced": "Fe2Te2W(CO)10",
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{
"id": "mp-1200754",
"created_at": "2022-09-04T14:45:41.226800Z",
"structure_string": "Nd4 In21 Pd10\n1.0\n2.269163 11.686947 0.000000\n-2.269163 11.686947 0.000000\n0.000000 9.731331 14.531552\nNd In Pd\n4 21 10\ndirect\n0.229729 0.229729 0.673843 Nd\n0.770271 0.770271 0.326157 Nd\n0.878222 0.878222 0.833065 Nd\n0.121778 0.121778 0.166935 Nd\n0.500000 0.500000 0.000000 In\n0.115147 0.115147 0.949316 In\n0.884853 0.884853 0.050684 In\n0.457852 0.457852 0.867759 In\n0.542148 0.542148 0.132241 In\n0.063965 0.063965 0.702866 In\n0.936035 0.936035 0.297134 In\n0.368553 0.368553 0.700042 In\n0.631447 0.631447 0.299958 In\n0.989138 0.989138 0.593897 In\n0.010862 0.010862 0.406103 In\n0.748979 0.748979 0.794565 In\n0.251021 0.251021 0.205435 In\n0.615830 0.615830 0.795723 In\n0.384170 0.384170 0.204277 In\n0.601453 0.601453 0.503715 In\n0.398547 0.398547 0.496285 In\n0.201895 0.201895 0.495553 In\n0.798105 0.798105 0.504447 In\n0.701080 0.701080 0.999463 In\n0.298920 0.298920 0.000537 In\n0.250142 0.250142 0.885378 Pd\n0.749858 0.749858 0.114622 Pd\n0.025211 0.025211 0.887926 Pd\n0.974789 0.974789 0.112074 Pd\n0.653677 0.653677 0.614143 Pd\n0.346323 0.346323 0.385857 Pd\n0.861980 0.861980 0.607259 Pd\n0.138020 0.138020 0.392741 Pd\n0.494182 0.494182 0.687377 Pd\n0.505818 0.505818 0.312623 Pd\n",
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{
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"created_at": "2022-09-04T14:45:41.260088Z",
"structure_string": "Ba2 Mn2 O2 F10\n1.0\n8.077134 0.000000 0.000000\n0.000000 5.623929 0.000000\n0.000000 2.308295 5.872215\nBa Mn O F\n2 2 2 10\ndirect\n0.250000 0.906953 0.377155 Ba\n0.750000 0.093047 0.622845 Ba\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.250000 0.329922 0.574825 O\n0.750000 0.670078 0.425175 O\n0.250000 0.390262 0.034600 F\n0.750000 0.609738 0.965400 F\n0.036358 0.704627 0.172337 F\n0.536358 0.295373 0.827663 F\n0.963642 0.295373 0.827663 F\n0.463642 0.704627 0.172337 F\n0.031813 0.788553 0.723188 F\n0.531813 0.211447 0.276812 F\n0.968187 0.211447 0.276812 F\n0.468187 0.788553 0.723188 F\n",
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{
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"structure_string": "Dy6 Ga2 Fe2 Se14\n1.0\n0.000000 0.000000 -6.418065\n-4.991572 -8.625832 0.000000\n-4.997002 8.628986 0.000000\nDy Ga Fe Se\n6 2 2 14\ndirect\n0.821437 0.157487 0.785424 Dy\n0.821884 0.214654 0.372481 Dy\n0.821792 0.627583 0.841930 Dy\n0.321437 0.842513 0.214576 Dy\n0.321884 0.785346 0.627519 Dy\n0.321792 0.372417 0.158070 Dy\n0.898189 0.666657 0.333316 Ga\n0.398189 0.333343 0.666684 Ga\n0.492627 0.000017 0.999773 Fe\n0.992627 0.999983 0.000227 Fe\n0.553400 0.437827 0.919769 Se\n0.553316 0.080158 0.518577 Se\n0.553756 0.481935 0.561942 Se\n0.053400 0.562173 0.080231 Se\n0.053316 0.919842 0.481423 Se\n0.053756 0.518065 0.438058 Se\n0.523878 0.666659 0.333116 Se\n0.023878 0.333341 0.666884 Se\n0.736787 0.869503 0.768605 Se\n0.736674 0.229989 0.100125 Se\n0.736860 0.900112 0.129068 Se\n0.236787 0.130497 0.231395 Se\n0.236674 0.770011 0.899875 Se\n0.236860 0.099888 0.870932 Se\n",
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{
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{
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}