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{
"id": "mp-1233752",
"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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"updated_at": "2021-11-28T01:34:30.694000Z",
"spacegroup": 5
},
{
"id": "mp-768845",
"created_at": "2022-09-04T14:39:16.275257Z",
"structure_string": "Rb4 Fe4 O8\n1.0\n-2.950863 0.000019 4.326741\n0.000056 10.021181 0.000082\n-4.912389 -0.000063 -4.446244\nRb Fe O\n4 4 8\ndirect\n0.749999 0.347269 0.000000 Rb\n0.249999 0.847254 0.500001 Rb\n0.250000 0.652722 0.000000 Rb\n0.749999 0.152724 0.500001 Rb\n0.250029 0.485126 0.500003 Fe\n0.249995 0.014842 0.000000 Fe\n0.750007 0.985145 0.999999 Fe\n0.749974 0.514912 0.499994 Fe\n0.991515 0.594383 0.344986 O\n0.491502 0.094379 0.845019 O\n0.491512 0.405629 0.345044 O\n0.991504 0.905616 0.845015 O\n0.508492 0.594381 0.655009 O\n0.008497 0.094376 0.154979 O\n0.008477 0.405626 0.654964 O\n0.508498 0.905615 0.154987 O\n",
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],
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"volume": 344.477012578054,
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"formula_full": "Rb4 Fe4 O8",
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},
{
"id": "mp-703459",
"created_at": "2022-09-04T14:39:16.651098Z",
"structure_string": "H24 O12\n1.0\n3.801783 -6.584882 0.000000\n3.801783 6.584882 0.000000\n0.000000 0.000000 7.142962\nH O\n24 12\ndirect\n0.330823 0.330823 0.696428 H\n0.669177 0.000000 0.696428 H\n0.000000 0.669177 0.696428 H\n0.669177 0.669177 0.196428 H\n0.330823 0.000000 0.196428 H\n0.000000 0.330823 0.196428 H\n0.452347 0.452347 0.510646 H\n0.547653 0.000000 0.510646 H\n0.000000 0.547653 0.510646 H\n0.547653 0.547653 0.010646 H\n0.452347 0.000000 0.010646 H\n0.000000 0.452347 0.010646 H\n0.786171 0.663716 0.478847 H\n0.336284 0.122455 0.478847 H\n0.877545 0.213829 0.478847 H\n0.663716 0.786171 0.478847 H\n0.122455 0.336284 0.478847 H\n0.213829 0.877545 0.478847 H\n0.213829 0.336284 0.978847 H\n0.663716 0.877545 0.978847 H\n0.122455 0.786171 0.978847 H\n0.336284 0.213829 0.978847 H\n0.877545 0.663716 0.978847 H\n0.786171 0.122455 0.978847 H\n0.326642 0.326642 0.555658 O\n0.673358 0.000000 0.555658 O\n0.000000 0.673358 0.555658 O\n0.673358 0.673358 0.055658 O\n0.326642 0.000000 0.055658 O\n0.000000 0.326642 0.055658 O\n0.660605 0.660605 0.429575 O\n0.339395 0.000000 0.429575 O\n0.000000 0.339395 0.429575 O\n0.339395 0.339395 0.929575 O\n0.660605 0.000000 0.929575 O\n0.000000 0.660605 0.929575 O\n",
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"elements": [
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],
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"density": 1.0037549577344256,
"density_atomic": 0.10066044456894647,
"volume": 357.6379992574156,
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"formula_full": "H24 O12",
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"updated_at": "2021-11-28T01:34:43.484000Z",
"spacegroup": 185
},
{
"id": "mp-640740",
"created_at": "2022-09-04T14:39:12.063741Z",
"structure_string": "Na24 B52 O90\n1.0\n9.300867 -0.000700 -2.538331\n-0.860582 10.236786 -3.152030\n0.008815 0.008064 18.349756\nNa B O\n24 52 90\ndirect\n0.389472 0.310578 0.908351 Na\n0.718777 0.321984 0.753585 Na\n0.587991 0.836568 0.407060 Na\n0.305838 0.197279 0.398925 Na\n0.035758 0.823828 0.753610 Na\n0.814897 0.332217 0.405925 Na\n0.695842 0.798363 0.600509 Na\n0.038762 0.224542 0.913407 Na\n0.506698 0.298079 0.257123 Na\n0.964922 0.314848 0.090264 Na\n0.496419 0.041569 0.745029 Na\n0.482077 0.899325 0.089846 Na\n0.282043 0.569163 0.246239 Na\n0.092823 0.698300 0.398365 Na\n0.518311 0.808572 0.910265 Na\n0.747558 0.798148 0.253922 Na\n0.876449 0.719669 0.909070 Na\n0.905071 0.299497 0.602296 Na\n0.248169 0.546329 0.745563 Na\n0.966223 0.068747 0.246039 Na\n0.410341 0.430225 0.592780 Na\n0.186276 0.926859 0.593333 Na\n0.611187 0.397606 0.088931 Na\n0.124256 0.814021 0.089381 Na\n0.922044 0.015987 0.047649 B\n0.603117 0.231456 0.540152 B\n0.792089 0.854642 0.087063 B\n0.567204 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O\n0.847042 0.343487 0.956874 O\n0.164698 0.318055 0.716315 O\n0.341887 0.252749 0.646143 O\n0.161751 0.213921 0.817744 O\n0.050931 0.418387 0.820094 O\n0.265142 0.284555 0.141837 O\n",
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{
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"structure_string": "Ca1 Mg6 Zn1 O8\n1.0\n8.630399 0.000000 0.000000\n-0.000000 4.392502 0.000000\n0.000000 0.000000 4.392502\nCa Mg Zn O\n1 6 1 8\ndirect\n-0.000000 0.000000 0.000000 Ca\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.256914 -0.000000 0.500000 Mg\n0.743086 0.000000 0.500000 Mg\n0.256914 0.500000 -0.000000 Mg\n0.743086 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Zn\n0.262671 0.000000 -0.000000 O\n0.737329 -0.000000 0.000000 O\n0.250550 0.500000 0.500000 O\n0.749450 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Rb1 Li1 Mg14 O15\n1.0\n8.494316 0.000000 0.000000\n0.000000 8.755519 0.000000\n0.000000 0.000000 4.361565\nRb Li Mg O\n1 1 14 15\ndirect\n0.091602 0.500000 -0.000000 Rb\n0.983306 -0.000000 -0.000000 Li\n0.502693 -0.000000 -0.000000 Mg\n0.522129 0.500000 -0.000000 Mg\n0.992948 0.237270 0.500000 Mg\n0.992948 0.762730 0.500000 Mg\n0.497066 0.251135 0.500000 Mg\n0.497066 0.748865 0.500000 Mg\n0.240896 -0.000000 0.500000 Mg\n0.250867 0.500000 0.500000 Mg\n0.752579 -0.000000 0.500000 Mg\n0.764465 0.500000 0.500000 Mg\n0.238848 0.215433 -0.000000 Mg\n0.238848 0.784567 -0.000000 Mg\n0.761752 0.249812 -0.000000 Mg\n0.761752 0.750188 -0.000000 Mg\n0.266062 -0.000000 -0.000000 O\n0.734535 -0.000000 -0.000000 O\n0.747307 0.500000 -0.000000 O\n0.244645 0.261387 0.500000 O\n0.244645 0.738613 0.500000 O\n0.743365 0.250549 0.500000 O\n0.743365 0.749451 0.500000 O\n0.000571 -0.000000 0.500000 O\n0.997019 0.500000 0.500000 O\n0.492062 -0.000000 0.500000 O\n0.484797 0.500000 0.500000 O\n0.000669 0.229028 0.000000 O\n0.000669 0.770972 -0.000000 O\n0.480261 0.265337 -0.000000 O\n0.480261 0.734663 -0.000000 O\n",
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