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{
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{
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{
"id": "mp-1197480",
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"structure_string": "La6 Sn26 Ir8\n1.0\n9.882799 0.000000 0.000000\n0.000000 9.882799 0.000000\n0.000000 0.000000 9.882799\nLa Sn Ir\n6 26 8\ndirect\n0.500000 0.000000 0.750000 La\n0.000000 0.250000 0.500000 La\n0.750000 0.500000 0.000000 La\n0.500000 0.000000 0.250000 La\n0.000000 0.750000 0.500000 La\n0.250000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.652628 0.195074 0.500000 Sn\n0.804926 0.500000 0.652628 Sn\n0.500000 0.347372 0.804926 Sn\n0.347372 0.804926 0.500000 Sn\n0.195074 0.500000 0.347372 Sn\n0.500000 0.652628 0.195074 Sn\n0.652628 0.804926 0.500000 Sn\n0.804926 0.500000 0.347372 Sn\n0.347372 0.195074 0.500000 Sn\n0.195074 0.500000 0.652628 Sn\n0.500000 0.652628 0.804926 Sn\n0.500000 0.347372 0.195074 Sn\n0.152628 0.000000 0.695074 Sn\n0.304926 0.152628 0.000000 Sn\n0.000000 0.304926 0.847372 Sn\n0.847372 0.000000 0.304926 Sn\n0.695074 0.847372 0.000000 Sn\n0.000000 0.695074 0.152628 Sn\n0.152628 0.000000 0.304926 Sn\n0.304926 0.847372 0.000000 Sn\n0.847372 0.000000 0.695074 Sn\n0.695074 0.152628 0.000000 Sn\n0.000000 0.304926 0.152628 Sn\n0.000000 0.695074 0.847372 Sn\n0.750000 0.250000 0.750000 Ir\n0.250000 0.750000 0.250000 Ir\n0.750000 0.750000 0.250000 Ir\n0.250000 0.250000 0.750000 Ir\n0.250000 0.750000 0.750000 Ir\n0.750000 0.250000 0.250000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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"formula_full": "La6 Sn26 Ir8",
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"spacegroup": 223
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{
"id": "mp-11021",
"created_at": "2022-09-04T14:42:15.608264Z",
"structure_string": "Ga2 Au2 O4\n1.0\n1.525034 -2.641436 0.000000\n1.525034 2.641436 0.000000\n0.000000 0.000000 12.486429\nGa Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n0.333333 0.666667 0.419969 O\n0.666667 0.333333 0.919969 O\n0.333333 0.666667 0.080031 O\n0.666667 0.333333 0.580031 O\n",
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{
"id": "mp-764429",
"created_at": "2022-09-04T14:42:15.609072Z",
"structure_string": "Li9 V6 O12 F6\n1.0\n5.131820 0.000000 0.000000\n2.534439 4.468607 0.000000\n2.338070 1.531498 14.860912\nLi V O F\n9 6 12 6\ndirect\n0.456608 0.287346 0.640443 Li\n0.842093 0.342549 0.500190 Li\n0.876801 0.047869 0.359411 Li\n0.157907 0.657451 0.499810 Li\n0.334263 0.833805 0.000078 Li\n0.123199 0.952131 0.640589 Li\n0.665737 0.166195 0.999922 Li\n0.500000 0.000000 0.500000 Li\n0.543392 0.712654 0.359557 Li\n0.610986 0.443687 0.168729 V\n0.051589 0.228662 0.832801 V\n0.273735 0.116444 0.167318 V\n0.389014 0.556313 0.831271 V\n0.726265 0.883556 0.832682 V\n0.948411 0.771338 0.167199 V\n0.675663 0.534156 0.906502 O\n0.902727 0.421300 0.235948 O\n0.097273 0.578700 0.764052 O\n0.961927 0.127915 0.094242 O\n0.263956 0.756664 0.234869 O\n0.401818 0.914352 0.765257 O\n0.379016 0.190231 0.905532 O\n0.324337 0.465844 0.093498 O\n0.598182 0.085648 0.234743 O\n0.736044 0.243336 0.765131 O\n0.620984 0.809769 0.094468 O\n0.038073 0.872085 0.905758 O\n0.549831 0.358342 0.420779 F\n0.806242 0.997606 0.579658 F\n0.193758 0.002394 0.420342 F\n0.163121 0.286248 0.576762 F\n0.450169 0.641658 0.579221 F\n0.836879 0.713752 0.423238 F\n",
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"formula_full": "Li9 V6 O12 F6",
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{
"id": "mp-707333",
"created_at": "2022-09-04T14:42:15.618102Z",
"structure_string": "Na12 Si4 H12 O20\n1.0\n6.010688 0.000000 0.000000\n0.000000 7.979296 0.000000\n0.000000 2.962303 10.881966\nNa Si H O\n12 4 12 20\ndirect\n0.511038 0.749876 0.834661 Na\n0.011038 0.250124 0.665339 Na\n0.488962 0.250124 0.165339 Na\n0.988962 0.749876 0.334661 Na\n0.807326 0.601056 0.068270 Na\n0.307326 0.398944 0.431730 Na\n0.192674 0.398944 0.931730 Na\n0.692674 0.601056 0.568270 Na\n0.256080 0.021461 0.940105 Na\n0.756080 0.978539 0.559895 Na\n0.743920 0.978539 0.059895 Na\n0.243920 0.021461 0.440105 Na\n0.706120 0.307937 0.864130 Si\n0.206120 0.692063 0.635870 Si\n0.293880 0.692063 0.135870 Si\n0.793880 0.307937 0.364130 Si\n0.402329 0.429708 0.667086 H\n0.902329 0.570292 0.832914 H\n0.597671 0.570292 0.332914 H\n0.097671 0.429708 0.167086 H\n0.884818 0.012679 0.824958 H\n0.384818 0.987321 0.675042 H\n0.115182 0.987321 0.175042 H\n0.615182 0.012679 0.324958 H\n0.972697 0.839157 0.784055 H\n0.472697 0.160843 0.715945 H\n0.027303 0.160843 0.215945 H\n0.527303 0.839157 0.284055 H\n0.770947 0.508019 0.884614 O\n0.270947 0.491981 0.615386 O\n0.229053 0.491981 0.115386 O\n0.729053 0.508019 0.384614 O\n0.512165 0.229200 0.963956 O\n0.012165 0.770800 0.536044 O\n0.487835 0.770800 0.036044 O\n0.987835 0.229200 0.463956 O\n0.933961 0.188475 0.888176 O\n0.433961 0.811525 0.611824 O\n0.066039 0.811525 0.111824 O\n0.566039 0.188475 0.388176 O\n0.630277 0.337623 0.719308 O\n0.130277 0.662377 0.780692 O\n0.369723 0.662377 0.280692 O\n0.869723 0.337623 0.219308 O\n0.848223 0.926996 0.776618 O\n0.348223 0.073004 0.723382 O\n0.151777 0.073004 0.223382 O\n0.651777 0.926996 0.276618 O\n",
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{
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"structure_string": "Na5 Li1 Fe2 P2 C2 O14\n1.0\n0.062097 5.218053 0.006979\n0.032907 0.008631 6.637672\n8.957899 0.064305 0.045230\nNa Li Fe P C O\n5 1 2 2 2 14\ndirect\n0.762713 0.237196 0.082960 Na\n0.250792 0.499591 0.260729 Na\n0.749016 0.502898 0.737585 Na\n0.748356 0.996611 0.737328 Na\n0.235404 0.757738 0.918867 Na\n0.228712 0.023854 0.285274 Li\n0.218321 0.248899 0.645343 Fe\n0.783608 0.754819 0.349724 Fe\n0.708899 0.246599 0.411789 P\n0.300476 0.754918 0.580361 P\n0.720361 0.751402 0.058627 C\n0.272258 0.241072 0.946624 C\n0.282449 0.229234 0.091020 O\n0.946176 0.744637 0.118360 O\n0.518062 0.763901 0.145685 O\n0.821895 0.069062 0.317997 O\n0.769691 0.441009 0.319085 O\n0.175963 0.768084 0.425129 O\n0.410915 0.223557 0.428960 O\n0.598021 0.752476 0.561010 O\n0.830132 0.252410 0.567750 O\n0.215808 0.562077 0.669581 O\n0.220377 0.936623 0.681041 O\n0.481335 0.248212 0.864577 O\n0.051780 0.246268 0.879774 O\n0.698478 0.746849 0.914820 O\n",
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{
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"structure_string": "Mn6 O5 F7\n1.0\n5.630544 0.000000 0.000000\n1.731906 5.468651 0.000000\n1.983394 1.481490 6.874418\nMn O F\n6 5 7\ndirect\n0.702803 0.676192 0.837400 Mn\n0.310545 0.364996 0.668294 Mn\n0.673855 0.617738 0.313009 Mn\n0.306365 0.334058 0.173503 Mn\n0.997352 0.995611 0.495018 Mn\n0.005679 0.006778 0.998815 Mn\n0.026702 0.663616 0.663449 O\n0.212534 0.246422 0.958451 O\n0.800241 0.768723 0.030295 O\n0.413306 0.427750 0.380238 O\n0.967704 0.329791 0.333644 O\n0.383915 0.936691 0.332587 F\n0.905416 0.876363 0.300990 F\n0.585008 0.576100 0.641289 F\n0.083116 0.106605 0.699070 F\n0.613916 0.061077 0.667277 F\n0.333995 0.713710 0.990368 F\n0.677547 0.297780 0.016302 F\n",
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{
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],
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"density_atomic": 0.08859423831516905,
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"volume_molar": 6.797440640074778,
"formula_full": "Ca11 Y1 Al15 Cr4 Si1 O48",
"formula_reduced": "Ca11YAl15Cr4SiO48",
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"updated_at": "2021-11-28T01:35:37.635000Z",
"spacegroup": 5
},
{
"id": "mp-561075",
"created_at": "2022-09-04T14:42:15.581951Z",
"structure_string": "Na2 Cd1 Sn1 S4\n1.0\n5.249161 4.501790 0.000000\n-5.249161 4.501790 0.000000\n0.000000 4.475480 4.667744\nNa Cd Sn S\n2 1 1 4\ndirect\n0.523980 0.476020 0.500000 Na\n0.777702 0.222298 0.000000 Na\n0.011244 0.988756 0.500000 Cd\n0.261340 0.738660 0.000000 Sn\n0.924135 0.652775 0.971949 S\n0.613265 0.845940 0.559654 S\n0.154060 0.386735 0.440346 S\n0.347225 0.075865 0.028051 S\n",
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"volume": 220.60337409340676,
"volume_molar": 16.606307136517913,
"formula_full": "Na2 Cd1 Sn1 S4",
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"updated_at": "2021-11-28T01:35:44.892000Z",
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},
{
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]
}