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{
"id": "mp-2330",
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"structure_string": "Nb4 Se6\n1.0\n3.467354 0.000000 0.000000\n0.000000 6.636929 0.000000\n0.000000 2.276687 9.028352\nNb Se\n4 6\ndirect\n0.250000 0.885933 0.635339 Nb\n0.750000 0.114067 0.364661 Nb\n0.250000 0.681168 0.001893 Nb\n0.750000 0.318832 0.998107 Nb\n0.250000 0.271108 0.512980 Se\n0.750000 0.728892 0.487020 Se\n0.250000 0.027967 0.156807 Se\n0.750000 0.972033 0.843193 Se\n0.750000 0.523718 0.203105 Se\n0.250000 0.476282 0.796895 Se\n",
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{
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"structure_string": "La10 Sn6\n1.0\n4.783473 -8.285218 0.000000\n4.783473 8.285218 0.000000\n0.000000 0.000000 6.944502\nLa Sn\n10 6\ndirect\n0.666667 0.333333 0.000000 La\n0.333333 0.666667 0.000000 La\n0.333333 0.666667 0.500000 La\n0.666667 0.333333 0.500000 La\n0.751254 0.751254 0.750000 La\n0.248746 0.000000 0.750000 La\n0.000000 0.248746 0.750000 La\n0.248746 0.248746 0.250000 La\n0.751254 0.000000 0.250000 La\n0.000000 0.751254 0.250000 La\n0.389729 0.389729 0.750000 Sn\n0.610271 0.000000 0.750000 Sn\n0.000000 0.610271 0.750000 Sn\n0.610271 0.610271 0.250000 Sn\n0.389729 0.000000 0.250000 Sn\n0.000000 0.389729 0.250000 Sn\n",
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{
"id": "mp-561270",
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"structure_string": "Sn4 H16 C8 N4 O16 F4\n1.0\n9.841243 0.000000 0.000000\n0.000000 7.804601 0.000000\n0.000000 2.963073 8.126817\nSn H C N O F\n4 16 8 4 16 4\ndirect\n0.813159 0.005551 0.623128 Sn\n0.313159 0.494449 0.376872 Sn\n0.186841 0.994449 0.376872 Sn\n0.686841 0.505551 0.623128 Sn\n0.751756 0.721184 0.999793 H\n0.251756 0.778816 0.000207 H\n0.736969 0.028284 0.162584 H\n0.649758 0.542131 0.012082 H\n0.125916 0.831705 0.860289 H\n0.248244 0.278816 0.000207 H\n0.625916 0.668295 0.139711 H\n0.236969 0.471716 0.837416 H\n0.874084 0.168295 0.139711 H\n0.263031 0.971716 0.837416 H\n0.763031 0.528284 0.162584 H\n0.149758 0.957869 0.987918 H\n0.748244 0.221184 0.999793 H\n0.850242 0.042131 0.012082 H\n0.374084 0.331705 0.860289 H\n0.350242 0.457869 0.987918 H\n0.010423 0.622067 0.299490 C\n0.483956 0.930535 0.278914 C\n0.510423 0.877933 0.700510 C\n0.016044 0.430535 0.278914 C\n0.989577 0.377933 0.700510 C\n0.516044 0.069465 0.721086 C\n0.983956 0.569465 0.721086 C\n0.489577 0.122067 0.299490 C\n0.304937 0.385709 0.920974 N\n0.804937 0.114291 0.079026 N\n0.695063 0.614291 0.079026 N\n0.195063 0.885709 0.920974 N\n0.599375 0.202335 0.288285 O\n0.631500 0.152875 0.686750 O\n0.087515 0.630201 0.767474 O\n0.131500 0.347125 0.313250 O\n0.900625 0.702335 0.288285 O\n0.368500 0.847125 0.313250 O\n0.412485 0.130201 0.767474 O\n0.627945 0.817567 0.671777 O\n0.099375 0.297665 0.711715 O\n0.587515 0.869799 0.232526 O\n0.912485 0.369799 0.232526 O\n0.372055 0.182433 0.328223 O\n0.868500 0.652875 0.686750 O\n0.127945 0.682433 0.328223 O\n0.872055 0.317567 0.671777 O\n0.400625 0.797665 0.711715 O\n0.647977 0.407350 0.878036 F\n0.147977 0.092650 0.121964 F\n0.852023 0.907350 0.878036 F\n0.352023 0.592650 0.121964 F\n",
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"formula_full": "Sn4 H16 C8 N4 O16 F4",
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"spacegroup": 14
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{
"id": "mp-505639",
"created_at": "2022-09-04T14:41:21.283387Z",
"structure_string": "Rb12 Ti12 Te44\n1.0\n15.671037 0.000000 0.000000\n0.000000 10.817374 0.000000\n0.000000 10.367519 15.036359\nRb Ti Te\n12 12 44\ndirect\n0.474174 0.427139 0.148369 Rb\n0.525826 0.572861 0.851631 Rb\n0.377923 0.710889 0.557099 Rb\n0.389345 0.073580 0.876256 Rb\n0.889345 0.926420 0.623744 Rb\n0.025826 0.427139 0.648369 Rb\n0.610655 0.926420 0.123744 Rb\n0.877923 0.289111 0.942901 Rb\n0.122077 0.710889 0.057099 Rb\n0.974174 0.572861 0.351631 Rb\n0.622077 0.289111 0.442901 Rb\n0.110655 0.073580 0.376256 Rb\n0.811420 0.953350 0.324001 Ti\n0.284852 0.342213 0.977895 Ti\n0.701055 0.349536 0.680794 Ti\n0.215148 0.342213 0.477895 Ti\n0.784852 0.657787 0.522105 Ti\n0.798945 0.349536 0.180794 Ti\n0.688580 0.953350 0.824001 Ti\n0.188580 0.046650 0.675999 Ti\n0.201055 0.650464 0.819206 Ti\n0.311420 0.046650 0.175999 Ti\n0.298945 0.650464 0.319206 Ti\n0.715148 0.657787 0.022105 Ti\n0.928774 0.145459 0.191099 Te\n0.781464 0.688715 0.869357 Te\n0.564254 0.783261 0.954424 Te\n0.218536 0.311285 0.130643 Te\n0.290334 0.446355 0.806112 Te\n0.335010 0.832289 0.132122 Te\n0.428774 0.854541 0.308901 Te\n0.346701 0.087203 0.311327 Te\n0.610347 0.584953 0.526266 Te\n0.571226 0.145459 0.691099 Te\n0.389653 0.415047 0.473734 Te\n0.653299 0.912797 0.688673 Te\n0.696259 0.363543 0.050958 Te\n0.835010 0.167711 0.367878 Te\n0.803741 0.363543 0.550958 Te\n0.462732 0.595858 0.278094 Te\n0.718536 0.688715 0.369357 Te\n0.037268 0.595858 0.778094 Te\n0.281464 0.311285 0.630643 Te\n0.153299 0.087203 0.811327 Te\n0.303741 0.636457 0.949042 Te\n0.295747 0.063682 0.543585 Te\n0.336082 0.858221 0.763750 Te\n0.836082 0.141779 0.736250 Te\n0.709666 0.553645 0.193888 Te\n0.163918 0.858221 0.263750 Te\n0.790334 0.553645 0.693888 Te\n0.935746 0.783261 0.454424 Te\n0.795747 0.936318 0.956415 Te\n0.064254 0.216739 0.545576 Te\n0.071226 0.854541 0.808901 Te\n0.537268 0.404142 0.721906 Te\n0.704253 0.936318 0.456415 Te\n0.204253 0.063682 0.043585 Te\n0.110347 0.415047 0.973734 Te\n0.664990 0.167711 0.867878 Te\n0.889653 0.584953 0.026266 Te\n0.435746 0.216739 0.045576 Te\n0.962732 0.404142 0.221906 Te\n0.196259 0.636457 0.449042 Te\n0.209666 0.446355 0.306112 Te\n0.663918 0.141779 0.236250 Te\n0.164990 0.832289 0.632122 Te\n0.846701 0.912797 0.188673 Te\n",
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"formula_full": "Rb12 Ti12 Te44",
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{
"id": "mp-542573",
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"structure_string": "Th4 B16\n1.0\n7.255614 0.000000 0.000000\n0.000000 7.255614 0.000000\n0.000000 0.000000 4.119525\nTh B\n4 16\ndirect\n0.814012 0.314012 0.000000 Th\n0.314012 0.185988 0.000000 Th\n0.685988 0.814012 0.000000 Th\n0.185988 0.685988 0.000000 Th\n0.000000 0.000000 0.201145 B\n0.500000 0.500000 0.798855 B\n0.000000 0.000000 0.798855 B\n0.500000 0.500000 0.201145 B\n0.589557 0.089557 0.500000 B\n0.089557 0.410443 0.500000 B\n0.910443 0.589557 0.500000 B\n0.410443 0.910443 0.500000 B\n0.038899 0.175149 0.500000 B\n0.175149 0.961101 0.500000 B\n0.824851 0.038899 0.500000 B\n0.961101 0.824851 0.500000 B\n0.461101 0.675149 0.500000 B\n0.538899 0.324851 0.500000 B\n0.675149 0.538899 0.500000 B\n0.324851 0.461101 0.500000 B\n",
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{
"id": "mp-1008601",
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"structure_string": "Zr1 Ag2\n1.0\n-1.791193 1.791193 4.529458\n1.791193 -1.791193 4.529458\n1.791193 1.791193 -4.529458\nZr Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.671334 0.671334 0.000000 Ag\n0.328666 0.328666 0.000000 Ag\n",
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{
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"structure_string": "Te4 As4 I12 F24\n1.0\n11.012165 0.000000 0.000000\n0.000000 8.462923 0.000000\n0.000000 2.491975 12.806526\nTe As I F\n4 4 12 24\ndirect\n0.333952 0.186902 0.310032 Te\n0.166048 0.186902 0.810032 Te\n0.833952 0.813098 0.189968 Te\n0.666048 0.813098 0.689968 Te\n0.724968 0.173370 0.418933 As\n0.224968 0.826630 0.081067 As\n0.775032 0.173370 0.918933 As\n0.275032 0.826630 0.581067 As\n0.148795 0.445236 0.904147 I\n0.098192 0.225212 0.253725 I\n0.401808 0.225212 0.753725 I\n0.954096 0.708489 0.370635 I\n0.351205 0.445236 0.404147 I\n0.454096 0.291511 0.129365 I\n0.851205 0.554764 0.095853 I\n0.545904 0.708489 0.870635 I\n0.901808 0.774788 0.746275 I\n0.598192 0.774788 0.246275 I\n0.648795 0.554764 0.595853 I\n0.045904 0.291511 0.629365 I\n0.218106 0.876880 0.698443 F\n0.870844 0.241574 0.447378 F\n0.577795 0.102113 0.391144 F\n0.718106 0.123120 0.801557 F\n0.685869 0.368433 0.352910 F\n0.781894 0.123120 0.301557 F\n0.238804 0.025508 0.513200 F\n0.129156 0.758426 0.552622 F\n0.077795 0.897887 0.108856 F\n0.332238 0.783366 0.461598 F\n0.667762 0.216634 0.538402 F\n0.185869 0.631567 0.147090 F\n0.832238 0.216634 0.038402 F\n0.167762 0.783366 0.961598 F\n0.261196 0.025508 0.013200 F\n0.738804 0.974492 0.986800 F\n0.422205 0.897887 0.608856 F\n0.922205 0.102113 0.891144 F\n0.629156 0.241574 0.947378 F\n0.761196 0.974492 0.486800 F\n0.370844 0.758426 0.052622 F\n0.814131 0.368433 0.852910 F\n0.314131 0.631567 0.647090 F\n0.281894 0.876880 0.198443 F\n",
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{
"id": "mp-1103194",
"created_at": "2022-09-04T14:41:21.248520Z",
"structure_string": "Sb4 S4 Br4\n1.0\n4.014095 0.000000 0.000000\n0.000000 8.781000 0.000000\n0.000000 0.000000 10.220930\nSb S Br\n4 4 4\ndirect\n0.269106 0.607540 0.369682 Sb\n0.769106 0.392460 0.630318 Sb\n0.769106 0.892460 0.869682 Sb\n0.269106 0.107540 0.130318 Sb\n0.260650 0.342626 0.457907 S\n0.760650 0.657374 0.542093 S\n0.760650 0.157374 0.957907 S\n0.260650 0.842626 0.042093 S\n0.256444 0.012890 0.687602 Br\n0.756444 0.987110 0.312398 Br\n0.756444 0.487110 0.187602 Br\n0.256444 0.512890 0.812398 Br\n",
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{
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{
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}