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{
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{
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"structure_string": "Li4 Mn4 P4 H8 O20\n1.0\n0.000005 -0.000037 4.736688\n5.839866 8.210455 -0.000057\n-5.842973 8.212749 -0.000069\nLi Mn P H O\n4 4 4 8 20\ndirect\n0.093184 0.213425 0.212667 Li\n0.093539 0.713375 0.713017 Li\n0.593205 0.536582 0.037348 Li\n0.593532 0.036598 0.536983 Li\n0.020653 0.987173 0.986107 Mn\n0.520681 0.762850 0.263895 Mn\n0.021165 0.487184 0.486365 Mn\n0.521193 0.262808 0.763627 Mn\n0.599426 0.113018 0.113312 P\n0.599985 0.613085 0.613558 P\n0.099445 0.637013 0.136692 P\n0.099978 0.136894 0.636438 P\n0.558522 0.462087 0.329359 H\n0.557209 0.961841 0.829316 H\n0.058572 0.287916 0.920640 H\n0.057244 0.788136 0.420684 H\n0.057104 0.420258 0.787687 H\n0.056873 0.920303 0.287582 H\n0.556860 0.829695 0.962434 H\n0.557035 0.329730 0.462293 H\n0.273441 0.105495 0.105278 O\n0.273986 0.605415 0.605522 O\n0.773464 0.644525 0.144731 O\n0.773963 0.144564 0.644473 O\n0.691680 0.202920 0.202087 O\n0.692109 0.702987 0.702372 O\n0.191704 0.547125 0.047903 O\n0.192114 0.046992 0.547621 O\n0.685697 0.390879 0.391243 O\n0.684974 0.890760 0.891032 O\n0.185751 0.359112 0.858745 O\n0.184994 0.859233 0.358977 O\n0.727813 0.171474 0.960114 O\n0.728396 0.671643 0.460267 O\n0.227839 0.578548 0.289887 O\n0.228383 0.078335 0.789739 O\n0.227214 0.790129 0.077171 O\n0.228129 0.289982 0.576962 O\n0.728129 0.460006 0.673027 O\n0.727213 0.959906 0.172845 O\n",
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{
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{
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"structure_string": "Li1 Sb1 F6\n1.0\n4.861978 -2.659839 0.000000\n4.861978 2.659839 0.000000\n3.406862 0.000000 4.371140\nLi Sb F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.861366 0.659088 0.239398 F\n0.239398 0.861366 0.659088 F\n0.340912 0.760602 0.138634 F\n0.659088 0.239398 0.861366 F\n0.760602 0.138634 0.340912 F\n0.138634 0.340912 0.760602 F\n",
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{
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"structure_string": "Xe4\n1.0\n3.967823 -8.557248 0.000000\n3.967823 8.557248 0.000000\n0.000000 0.000000 5.078424\nXe\n4\ndirect\n0.366897 0.633103 0.485509 Xe\n0.866897 0.133103 0.014491 Xe\n0.133103 0.866897 0.985509 Xe\n0.633103 0.366897 0.514491 Xe\n",
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{
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"created_at": "2022-09-04T14:39:12.714791Z",
"structure_string": "Ca1 Tl6 Si2 O7\n1.0\n-0.076369 -0.015038 -4.850208\n-10.256206 0.057893 -0.150375\n-5.234774 8.258834 -0.049377\nCa Tl Si O\n1 6 2 7\ndirect\n0.252910 0.468286 0.454663 Ca\n0.787495 0.811391 0.391089 Tl\n0.708290 0.826255 0.736831 Tl\n0.777111 0.404908 0.904433 Tl\n0.093561 0.089599 0.663118 Tl\n0.205227 0.153824 0.264685 Tl\n0.186614 0.621609 0.058111 Tl\n0.293400 0.697687 0.650897 Si\n0.711072 0.349618 0.324280 Si\n0.143123 0.871897 0.570172 O\n0.187286 0.575624 0.837732 O\n0.236565 0.633449 0.532698 O\n0.825616 0.166404 0.424174 O\n0.814198 0.441710 0.132762 O\n0.795098 0.438172 0.418256 O\n0.368432 0.347253 0.326544 O\n",
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{
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"structure_string": "Na8 Y4 H4 C8 O28\n1.0\n3.095454 8.855636 0.000000\n-3.095454 8.855636 0.000000\n0.000000 1.190394 11.424190\nNa Y H C O\n8 4 4 8 28\ndirect\n0.490946 0.287218 0.381600 Na\n0.712782 0.509054 0.118400 Na\n0.509054 0.712782 0.618400 Na\n0.287218 0.490946 0.881600 Na\n0.176435 0.355283 0.642322 Na\n0.644717 0.823565 0.857678 Na\n0.823565 0.644717 0.357678 Na\n0.355283 0.176435 0.142322 Na\n0.781446 0.097594 0.630947 Y\n0.902406 0.218554 0.869053 Y\n0.218554 0.902406 0.369053 Y\n0.097594 0.781446 0.130947 Y\n0.940749 0.260876 0.623531 H\n0.739124 0.059251 0.876469 H\n0.059251 0.739124 0.376469 H\n0.260876 0.940749 0.123531 H\n0.232667 0.638192 0.616262 C\n0.361808 0.767333 0.883738 C\n0.767333 0.361808 0.383738 C\n0.638192 0.232667 0.116262 C\n0.282516 0.133770 0.421671 C\n0.866230 0.717484 0.078329 C\n0.717484 0.866230 0.578329 C\n0.133770 0.282516 0.921671 C\n0.180692 0.805758 0.565535 O\n0.194242 0.819308 0.934465 O\n0.819308 0.194242 0.434465 O\n0.805758 0.180692 0.065535 O\n0.693010 0.094695 0.200101 O\n0.905305 0.306990 0.299899 O\n0.306990 0.905305 0.799899 O\n0.094695 0.693010 0.700101 O\n0.012774 0.383607 0.827053 O\n0.616393 0.987226 0.672947 O\n0.987226 0.616393 0.172947 O\n0.383607 0.012774 0.327053 O\n0.408516 0.431280 0.583190 O\n0.568720 0.591484 0.916810 O\n0.591484 0.568720 0.416810 O\n0.431280 0.408516 0.083190 O\n0.240802 0.297582 0.434021 O\n0.702418 0.759198 0.065979 O\n0.759198 0.702418 0.565979 O\n0.297582 0.240802 0.934021 O\n0.780960 0.919224 0.496295 O\n0.080776 0.219040 0.003705 O\n0.219040 0.080776 0.503705 O\n0.919224 0.780960 0.996295 O\n0.826266 0.298259 0.675530 O\n0.701741 0.173734 0.824470 O\n0.173734 0.701741 0.324470 O\n0.298259 0.826266 0.175530 O\n",
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{
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{
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{
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},
{
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"created_at": "2022-09-04T14:39:14.371853Z",
"structure_string": "Hf8 I32\n1.0\n13.743571 0.000000 0.000000\n0.000000 13.743571 0.000000\n0.000000 0.000000 13.743571\nHf I\n8 32\ndirect\n0.374184 0.625816 0.125816 Hf\n0.125816 0.125816 0.125816 Hf\n0.874184 0.625816 0.374184 Hf\n0.125816 0.374184 0.625816 Hf\n0.625816 0.125816 0.374184 Hf\n0.374184 0.874184 0.625816 Hf\n0.874184 0.874184 0.874184 Hf\n0.625816 0.374184 0.874184 Hf\n0.738972 0.485364 0.987252 I\n0.485364 0.987252 0.738972 I\n0.238972 0.014636 0.012748 I\n0.014636 0.012748 0.238972 I\n0.514636 0.012748 0.261028 I\n0.514636 0.487252 0.761028 I\n0.014636 0.487252 0.738972 I\n0.987252 0.761028 0.985364 I\n0.012748 0.261028 0.514636 I\n0.512748 0.261028 0.985364 I\n0.985364 0.987252 0.761028 I\n0.012748 0.238972 0.014636 I\n0.987252 0.738972 0.485364 I\n0.261842 0.738158 0.238158 I\n0.761842 0.738158 0.261842 I\n0.738158 0.238158 0.261842 I\n0.985364 0.512748 0.261028 I\n0.738158 0.261842 0.761842 I\n0.487252 0.761028 0.514636 I\n0.512748 0.238972 0.485364 I\n0.761028 0.985364 0.987252 I\n0.238158 0.261842 0.738158 I\n0.761842 0.761842 0.761842 I\n0.238972 0.485364 0.512748 I\n0.261842 0.761842 0.738158 I\n0.761028 0.514636 0.487252 I\n0.238158 0.238158 0.238158 I\n0.261028 0.514636 0.012748 I\n0.738972 0.014636 0.487252 I\n0.261028 0.985364 0.512748 I\n0.487252 0.738972 0.014636 I\n0.485364 0.512748 0.238972 I\n",
"nsites": 40,
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"elements": [
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"updated_at": "2021-11-28T01:34:38.127000Z",
"spacegroup": 205
},
{
"id": "mp-1181918",
"created_at": "2022-09-04T14:39:35.602782Z",
"structure_string": "Cs6 Li4 I10\n1.0\n2.529148 15.561939 0.000000\n-2.529148 15.561939 0.000000\n0.000000 2.246860 11.918560\nCs Li I\n6 4 10\ndirect\n0.746943 0.746943 0.257982 Cs\n0.069599 0.069599 0.344350 Cs\n0.938427 0.938427 0.155938 Cs\n0.061573 0.061573 0.844062 Cs\n0.930401 0.930401 0.655650 Cs\n0.253057 0.253057 0.742018 Cs\n0.354300 0.354300 0.964754 Li\n0.645700 0.645700 0.035246 Li\n0.356846 0.356846 0.416069 Li\n0.643154 0.643154 0.583931 Li\n0.660126 0.660126 0.801421 I\n0.339874 0.339874 0.198579 I\n0.554308 0.554308 0.593287 I\n0.444824 0.444824 0.892828 I\n0.178527 0.178527 0.094931 I\n0.176940 0.176940 0.493462 I\n0.821473 0.821473 0.905069 I\n0.823060 0.823060 0.506538 I\n0.555176 0.555176 0.107172 I\n0.445692 0.445692 0.406713 I\n",
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"volume": 938.1920217205864,
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"formula_full": "Cs6 Li4 I10",
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}
]
}