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{
"id": "mp-1177185",
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"structure_string": "Li10 Fe6 O16\n1.0\n9.901582 0.000000 0.000000\n0.000000 5.813963 0.000000\n0.000000 2.856342 5.077500\nLi Fe O\n10 6 16\ndirect\n0.052383 0.835747 0.820552 Li\n0.533530 0.657674 0.671239 Li\n0.281358 0.669845 0.660424 Li\n0.047174 0.338567 0.820948 Li\n0.549027 0.161664 0.672436 Li\n0.049027 0.838336 0.327564 Li\n0.547174 0.661433 0.179052 Li\n0.781358 0.330155 0.339576 Li\n0.033530 0.342326 0.328761 Li\n0.552383 0.164253 0.179448 Li\n0.287714 0.170109 0.659351 Fe\n0.787714 0.829891 0.340649 Fe\n0.787059 0.331905 0.838367 Fe\n0.286878 0.170288 0.161708 Fe\n0.786878 0.829712 0.838292 Fe\n0.287059 0.668095 0.161633 Fe\n0.667136 0.993581 0.000082 O\n0.394072 0.839249 0.838752 O\n0.675339 0.495203 0.986879 O\n0.908702 0.669500 0.676402 O\n0.396456 0.319508 0.826418 O\n0.674470 0.976953 0.505016 O\n0.677362 0.500978 0.518011 O\n0.895621 0.169819 0.688055 O\n0.395621 0.830181 0.311945 O\n0.177362 0.499022 0.481989 O\n0.174470 0.023047 0.494984 O\n0.167136 0.006419 0.999918 O\n0.408702 0.330500 0.323598 O\n0.896456 0.680492 0.173582 O\n0.175339 0.504797 0.013121 O\n0.894072 0.160751 0.161248 O\n",
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{
"id": "mp-1174685",
"created_at": "2022-09-04T14:46:35.693448Z",
"structure_string": "Li10 Mn6 O16\n1.0\n-5.734522 -0.383308 -0.059176\n-2.956532 -0.241951 8.570908\n-0.385388 5.812310 0.022442\nLi Mn O\n10 6 16\ndirect\n0.124910 0.250007 0.250070 Li\n0.625068 0.249991 0.249871 Li\n0.874952 0.749992 0.750003 Li\n0.374995 0.749973 0.750115 Li\n0.124888 0.249956 0.750065 Li\n0.625087 0.250046 0.749899 Li\n0.483339 0.040610 0.506477 Li\n0.983626 0.040322 0.506665 Li\n0.766228 0.459691 0.993321 Li\n0.266549 0.459380 0.993498 Li\n0.875060 0.750027 0.250019 Mn\n0.375028 0.750004 0.250050 Mn\n0.489488 0.017488 0.998644 Mn\n0.989079 0.017566 0.998640 Mn\n0.760970 0.482407 0.501308 Mn\n0.260503 0.482541 0.501374 Mn\n0.744528 0.007488 0.230361 O\n0.244850 0.006768 0.230388 O\n0.005492 0.492538 0.269627 O\n0.505158 0.493244 0.269616 O\n0.884517 0.228087 0.997725 O\n0.384292 0.227969 0.997764 O\n0.365694 0.272045 0.502159 O\n0.865496 0.271890 0.502219 O\n0.636903 0.727979 0.478737 O\n0.137240 0.728119 0.478870 O\n0.113240 0.772023 0.021241 O\n0.612765 0.771900 0.021283 O\n0.001873 0.500196 0.724756 O\n0.501839 0.500240 0.724550 O\n0.748152 0.999775 0.775243 O\n0.248193 0.999740 0.775440 O\n",
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"formula_full": "Li10 Mn6 O16",
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{
"id": "mp-1311453",
"created_at": "2022-09-04T14:46:33.629516Z",
"structure_string": "Li6 Cr10 O16\n1.0\n1.712826 -2.708957 -5.205717\n-10.679023 0.187231 -0.180764\n-0.148189 3.045373 -5.152925\nLi Cr O\n6 10 16\ndirect\n0.996167 0.250465 0.249970 Li\n0.003904 0.749595 0.749505 Li\n0.001897 0.250585 0.749539 Li\n0.998422 0.749600 0.250643 Li\n0.498338 0.249857 0.746473 Li\n0.501910 0.750129 0.253111 Li\n0.000192 0.499887 0.499823 Cr\n0.999447 0.000101 0.500272 Cr\n0.499731 0.999896 0.000313 Cr\n0.499794 0.000067 0.500242 Cr\n0.500245 0.500058 0.999927 Cr\n0.495702 0.247968 0.246458 Cr\n0.503878 0.751899 0.753803 Cr\n0.999677 0.999833 0.000234 Cr\n0.000567 0.500107 0.999517 Cr\n0.499998 0.499936 0.500031 Cr\n0.255148 0.389541 0.882411 O\n0.256002 0.890933 0.382783 O\n0.743595 0.109195 0.617623 O\n0.745421 0.610454 0.117267 O\n0.287362 0.377613 0.367179 O\n0.285093 0.878300 0.869033 O\n0.752061 0.388997 0.888476 O\n0.750316 0.888804 0.391225 O\n0.756593 0.392480 0.380821 O\n0.756897 0.893068 0.882926 O\n0.242372 0.106935 0.117286 O\n0.244030 0.607431 0.618452 O\n0.249322 0.111260 0.609432 O\n0.248673 0.611048 0.111196 O\n0.714413 0.121655 0.131397 O\n0.712834 0.622302 0.632633 O\n",
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"volume": 317.4407155251042,
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"formula_full": "Li6 Cr10 O16",
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{
"id": "mp-1174683",
"created_at": "2022-09-04T14:46:04.316154Z",
"structure_string": "Li10 Mn6 O16\n1.0\n0.177581 -0.202503 5.128540\n2.385912 9.747346 1.845196\n-5.756004 -0.342693 0.184966\nLi Mn O\n10 6 16\ndirect\n0.249988 0.249963 0.624928 Li\n0.249981 0.249972 0.124921 Li\n0.749986 0.750162 0.875178 Li\n0.750276 0.749714 0.374751 Li\n0.749981 0.249895 0.375000 Li\n0.749940 0.250065 0.874878 Li\n0.002866 0.488273 0.491204 Li\n0.002952 0.488613 0.991442 Li\n0.497080 0.011428 0.258478 Li\n0.497063 0.011644 0.758625 Li\n0.250059 0.750064 0.625132 Mn\n0.250098 0.750086 0.125109 Mn\n0.971653 0.009706 0.007097 Mn\n0.971734 0.009593 0.507513 Mn\n0.528242 0.490396 0.742540 Mn\n0.528249 0.490345 0.242933 Mn\n0.108213 0.109855 0.307831 O\n0.108172 0.110088 0.807980 O\n0.391682 0.389930 0.442058 O\n0.391629 0.390116 0.942226 O\n0.850941 0.384271 0.189117 O\n0.850906 0.384528 0.689722 O\n0.649065 0.115433 0.560222 O\n0.648990 0.115663 0.060728 O\n0.629715 0.610160 0.553100 O\n0.628716 0.610543 0.053098 O\n0.870355 0.889780 0.696953 O\n0.871318 0.889465 0.196899 O\n0.337806 0.870874 0.436813 O\n0.337821 0.870876 0.937079 O\n0.162206 0.629264 0.813534 O\n0.162318 0.629237 0.312909 O\n",
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"formula_full": "Li10 Mn6 O16",
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{
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"structure_string": "V3 H5 O8\n1.0\n1.552893 9.696144 0.000000\n-1.552893 9.696144 0.000000\n0.000000 1.190439 4.661511\nV H O\n3 5 8\ndirect\n0.001252 0.001252 0.481546 V\n0.819259 0.819259 0.377698 V\n0.179513 0.179513 0.622840 V\n0.583153 0.583153 0.097382 H\n0.495338 0.495338 0.957337 H\n0.413213 0.413213 0.905765 H\n0.311592 0.311592 0.925717 H\n0.688563 0.688563 0.072186 H\n0.530336 0.530336 0.200765 O\n0.467866 0.467866 0.794258 O\n0.906098 0.906098 0.419394 O\n0.092864 0.092864 0.577354 O\n0.339106 0.339106 0.080082 O\n0.662743 0.662743 0.912402 O\n0.716999 0.716999 0.357156 O\n0.282702 0.282702 0.640385 O\n",
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{
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"structure_string": "Li3 Mn5 O8\n1.0\n5.280118 -3.044965 0.000000\n5.280118 3.044965 0.000000\n3.524132 0.000000 4.973123\nLi Mn O\n3 5 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.266365 0.266365 0.266365 O\n0.750285 0.249255 0.750285 O\n0.750285 0.750285 0.249255 O\n0.249255 0.750285 0.750285 O\n0.750745 0.249715 0.249715 O\n0.249715 0.249715 0.750745 O\n0.249715 0.750745 0.249715 O\n0.733635 0.733635 0.733635 O\n",
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{
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"structure_string": "Li5 Co3 O8\n1.0\n5.841079 0.000000 0.000000\n0.000000 4.967496 0.000000\n0.000000 1.656620 4.782176\nLi Co O\n5 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.742324 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.257676 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.255321 0.000000 0.000000 Co\n0.744679 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.229017 0.254543 0.219329 O\n0.500000 0.777884 0.240054 O\n0.770983 0.254543 0.219329 O\n0.000000 0.745177 0.224717 O\n0.770983 0.745457 0.780671 O\n0.000000 0.254823 0.775283 O\n0.229017 0.745457 0.780671 O\n0.500000 0.222116 0.759946 O\n",
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{
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"structure_string": "Li5 Mn3 O8\n1.0\n1.439886 9.723168 0.000000\n-1.439886 9.723168 0.000000\n0.000000 0.483986 5.220322\nLi Mn O\n5 3 8\ndirect\n0.618051 0.618051 0.119048 Li\n0.886230 0.886230 0.392020 Li\n0.113770 0.113770 0.607980 Li\n0.381949 0.381949 0.880952 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.249163 0.249163 0.251261 Mn\n0.750837 0.750837 0.748739 Mn\n0.556006 0.556006 0.829283 O\n0.805293 0.805293 0.089197 O\n0.058210 0.058210 0.280691 O\n0.307266 0.307266 0.584260 O\n0.692734 0.692734 0.415740 O\n0.941790 0.941790 0.719309 O\n0.194707 0.194707 0.910803 O\n0.443994 0.443994 0.170717 O\n",
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{
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"structure_string": "Li5 Co3 O8\n1.0\n2.989781 0.000000 0.000000\n-0.208660 5.945314 0.000000\n-0.029759 -0.129501 7.994432\nLi Co O\n5 3 8\ndirect\n0.997176 0.241697 0.757519 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.002824 0.758303 0.242481 Li\n0.500000 0.000000 0.000000 Li\n0.999254 0.760114 0.759458 Co\n0.000746 0.239886 0.240542 Co\n0.500000 0.500000 0.500000 Co\n0.538830 0.507388 0.738964 O\n0.999073 0.747779 0.975893 O\n0.993050 0.262247 0.480094 O\n0.529391 0.016181 0.250109 O\n0.470609 0.983819 0.749891 O\n0.000927 0.252221 0.024107 O\n0.006950 0.737753 0.519906 O\n0.461170 0.492612 0.261036 O\n",
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{
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"structure_string": "Na6 Ni10 O16\n1.0\n3.005042 5.112815 0.000000\n-3.005042 5.112815 0.000000\n0.000000 1.940363 10.067453\nNa Ni O\n6 10 16\ndirect\n0.872552 0.379229 0.247746 Na\n0.627233 0.627233 0.748920 Na\n0.372767 0.372767 0.251080 Na\n0.379229 0.872552 0.247746 Na\n0.127448 0.620771 0.752254 Na\n0.620771 0.127448 0.752254 Na\n0.248918 0.248918 0.003749 Ni\n0.751367 0.248633 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.751082 0.751082 0.996251 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.248633 0.751367 0.000000 Ni\n0.876010 0.876010 0.249577 Ni\n0.123990 0.123990 0.750423 Ni\n0.000000 0.000000 0.500000 Ni\n0.837190 0.314613 0.606293 O\n0.936857 0.407990 0.892247 O\n0.563644 0.563644 0.098218 O\n0.303602 0.303602 0.606525 O\n0.436356 0.436356 0.901782 O\n0.696398 0.696398 0.393475 O\n0.063143 0.592010 0.107753 O\n0.314613 0.837190 0.606293 O\n0.162810 0.685387 0.393707 O\n0.407990 0.936857 0.892247 O\n0.052573 0.052573 0.110032 O\n0.172894 0.172894 0.398249 O\n0.827106 0.827106 0.601751 O\n0.947427 0.947427 0.889968 O\n0.685387 0.162810 0.393707 O\n0.592010 0.063143 0.107753 O\n",
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},
{
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"created_at": "2022-09-04T14:40:03.340240Z",
"structure_string": "Li5 Mn3 O8\n1.0\n4.844296 -0.196030 -1.443657\n-0.617142 5.124728 -0.001254\n-0.002375 -0.001668 5.766824\nLi Mn O\n5 3 8\ndirect\n0.505548 0.248735 0.872672 Li\n0.494453 0.751271 0.127332 Li\n0.486413 0.759658 0.617751 Li\n0.513588 0.240343 0.382247 Li\n0.000001 0.000001 0.499998 Li\n0.999990 0.999995 0.000014 Mn\n0.999985 0.499538 0.252598 Mn\n0.000016 0.500456 0.747397 Mn\n0.219048 0.851341 0.814545 O\n0.231529 0.395508 0.057998 O\n0.228653 0.399150 0.557273 O\n0.220422 0.852477 0.295938 O\n0.768470 0.604490 0.941999 O\n0.780956 0.148659 0.185450 O\n0.779577 0.147526 0.704056 O\n0.771350 0.600851 0.442732 O\n",
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"density_atomic": 0.11232112938450772,
"volume": 142.44871011960154,
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"formula_full": "Li5 Mn3 O8",
"formula_reduced": "Li5Mn3O8",
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"updated_at": "2021-11-28T01:34:48.833000Z",
"spacegroup": 2
},
{
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"created_at": "2022-09-04T14:41:11.093795Z",
"structure_string": "Tl3 In5 Se8\n1.0\n8.257578 0.000000 0.000000\n0.000000 8.257578 0.000000\n0.000000 0.000000 6.962636\nTl In Se\n3 5 8\ndirect\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.171400 0.672207 0.249500 Se\n0.672207 0.171400 0.750500 Se\n0.327793 0.828600 0.750500 Se\n0.828600 0.327793 0.249500 Se\n0.672207 0.828600 0.249500 Se\n0.171400 0.327793 0.750500 Se\n0.828600 0.672207 0.750500 Se\n0.327793 0.171400 0.249500 Se\n",
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"volume": 474.7653997044518,
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"formula_full": "Tl3 In5 Se8",
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"updated_at": "2021-11-28T01:35:23.703000Z",
"spacegroup": 89
}
]
}