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{
"id": "mp-1041685",
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"structure_string": "Al2 Co2 W4 O16\n1.0\n5.698050 0.000000 0.000000\n0.000000 5.028799 0.000000\n0.000000 4.867684 9.138924\nAl Co W O\n2 2 4 16\ndirect\n0.655404 0.000000 0.750000 Al\n0.344596 0.000000 0.250000 Al\n0.355475 0.500000 0.750000 Co\n0.644525 0.500000 0.250000 Co\n0.171716 0.242260 0.502256 W\n0.171716 0.757740 0.997744 W\n0.828284 0.757740 0.497744 W\n0.828284 0.242260 0.002256 W\n0.398498 0.747570 0.870727 O\n0.398498 0.252430 0.629273 O\n0.601502 0.252430 0.129273 O\n0.601502 0.747570 0.370727 O\n0.888778 0.182457 0.386683 O\n0.888778 0.817543 0.113317 O\n0.111222 0.817543 0.613317 O\n0.111222 0.182457 0.886683 O\n0.641136 0.205770 0.862526 O\n0.641136 0.794230 0.637474 O\n0.358864 0.794230 0.137474 O\n0.358864 0.205770 0.362526 O\n0.881797 0.691971 0.887774 O\n0.118203 0.308029 0.112226 O\n0.881797 0.308029 0.612226 O\n0.118203 0.691971 0.387774 O\n",
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{
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"structure_string": "Rb2 Y2 Be2 F12\n1.0\n5.912975 0.000000 0.000000\n0.000000 6.565102 0.000000\n0.000000 2.914806 6.648349\nRb Y Be F\n2 2 2 12\ndirect\n0.250000 0.078502 0.787714 Rb\n0.750000 0.921498 0.212286 Rb\n0.250000 0.391450 0.180365 Y\n0.750000 0.608550 0.819635 Y\n0.250000 0.767307 0.464396 Be\n0.750000 0.232693 0.535604 Be\n0.464012 0.758561 0.595134 F\n0.535988 0.241439 0.404866 F\n0.964012 0.241439 0.404866 F\n0.035988 0.758561 0.595134 F\n0.250000 0.569455 0.398884 F\n0.750000 0.430545 0.601116 F\n0.499012 0.675592 0.031014 F\n0.500988 0.324408 0.968986 F\n0.999012 0.324408 0.968986 F\n0.000988 0.675592 0.031014 F\n0.250000 0.993710 0.272339 F\n0.750000 0.006290 0.727661 F\n",
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"volume": 258.0841479518111,
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"formula_full": "Rb2 Y2 Be2 F12",
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},
{
"id": "mp-1579309",
"created_at": "2022-09-04T14:42:19.248130Z",
"structure_string": "Li4 Mn2 P4 O14\n1.0\n-0.001857 5.126079 -0.002090\n-4.473809 -2.561265 -0.153840\n-3.096753 -0.004108 12.979534\nLi Mn P O\n4 2 4 14\ndirect\n0.694527 0.782304 0.095431 Li\n0.912342 0.217996 0.404595 Li\n0.088149 0.782766 0.595358 Li\n0.304839 0.216952 0.904566 Li\n0.500410 0.499946 0.499850 Mn\n0.999701 0.499636 0.000042 Mn\n0.667087 0.909432 0.867779 P\n0.757800 0.090387 0.632253 P\n0.242736 0.910322 0.367732 P\n0.332347 0.089885 0.132256 P\n0.802667 0.999682 0.750058 O\n0.196937 0.000203 0.249990 O\n0.336075 0.816665 0.103136 O\n0.519503 0.183366 0.396914 O\n0.481248 0.817872 0.602752 O\n0.663219 0.182404 0.897072 O\n0.729519 0.376759 0.618865 O\n0.352667 0.623404 0.881097 O\n0.646764 0.375892 0.118878 O\n0.271197 0.624071 0.381192 O\n0.051195 0.153223 0.576190 O\n0.897626 0.846468 0.924021 O\n0.101767 0.152691 0.075988 O\n0.949678 0.847676 0.423987 O\n",
"nsites": 24,
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"elements": [
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"P",
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],
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"formula_full": "Li4 Mn2 P4 O14",
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{
"id": "mp-1037137",
"created_at": "2022-09-04T14:42:19.249056Z",
"structure_string": "Mg30 Co1 Si1 O32\n1.0\n8.545537 0.000000 0.000000\n0.000000 8.545537 0.000000\n0.000000 0.000000 8.524270\nMg Co Si O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.244634 0.244634 0.000000 Mg\n0.755366 0.244634 0.000000 Mg\n0.244634 0.755366 0.000000 Mg\n0.755366 0.755366 0.000000 Mg\n0.248136 0.248136 0.500000 Mg\n0.751864 0.248136 0.500000 Mg\n0.248136 0.751864 0.500000 Mg\n0.751864 0.751864 0.500000 Mg\n0.246113 0.000000 0.247923 Mg\n0.753887 0.000000 0.247923 Mg\n0.247800 0.500000 0.250845 Mg\n0.752200 0.500000 0.250845 Mg\n0.246113 0.000000 0.752077 Mg\n0.753887 0.000000 0.752077 Mg\n0.247800 0.500000 0.749155 Mg\n0.752200 0.500000 0.749155 Mg\n0.000000 0.246113 0.247923 Mg\n0.500000 0.247800 0.250845 Mg\n0.000000 0.753887 0.247923 Mg\n0.500000 0.752200 0.250845 Mg\n0.000000 0.246113 0.752077 Mg\n0.500000 0.247800 0.749155 Mg\n0.000000 0.753887 0.752077 Mg\n0.500000 0.752200 0.749155 Mg\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.261136 O\n0.500000 0.000000 0.248154 O\n0.000000 0.500000 0.248154 O\n0.500000 0.500000 0.224206 O\n0.000000 0.000000 0.738864 O\n0.500000 0.000000 0.751846 O\n0.000000 0.500000 0.751846 O\n0.500000 0.500000 0.775794 O\n0.250935 0.250935 0.248927 O\n0.749065 0.250935 0.248927 O\n0.250935 0.749065 0.248927 O\n0.749065 0.749065 0.248927 O\n0.250935 0.250935 0.751073 O\n0.749065 0.250935 0.751073 O\n0.250935 0.749065 0.751073 O\n0.749065 0.749065 0.751073 O\n0.266720 0.000000 0.000000 O\n0.733280 0.000000 0.000000 O\n0.280768 0.500000 0.000000 O\n0.719232 0.500000 0.000000 O\n0.252554 0.000000 0.500000 O\n0.747446 0.000000 0.500000 O\n0.254675 0.500000 0.500000 O\n0.745325 0.500000 0.500000 O\n0.000000 0.266720 0.000000 O\n0.500000 0.280768 0.000000 O\n0.000000 0.733280 0.000000 O\n0.500000 0.719232 0.000000 O\n0.000000 0.252554 0.500000 O\n0.500000 0.254675 0.500000 O\n0.000000 0.747446 0.500000 O\n0.500000 0.745325 0.500000 O\n",
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"chemical_system": "Co-Mg-O-Si",
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"formula_full": "Mg30 Co1 Si1 O32",
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},
{
"id": "mp-1031011",
"created_at": "2022-09-04T14:42:19.263520Z",
"structure_string": "Na1 Ce1 Mg6 O8\n1.0\n9.054455 0.000000 -0.000000\n0.000000 4.500098 -0.000000\n0.000000 0.000000 4.500098\nNa Ce Mg O\n1 1 6 8\ndirect\n0.500000 0.000000 -0.000000 Na\n-0.000000 0.000000 -0.000000 Ce\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.277328 0.000000 0.500000 Mg\n0.722672 -0.000000 0.500000 Mg\n0.277328 0.500000 -0.000000 Mg\n0.722672 0.500000 0.000000 Mg\n0.251454 -0.000000 0.000000 O\n0.748546 0.000000 -0.000000 O\n0.249135 0.500000 0.500000 O\n0.750865 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
"id": "mp-775855",
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"structure_string": "Na4 Mn4 P4 O16\n1.0\n5.064942 0.000000 0.000000\n0.000000 6.407863 0.000000\n0.000000 0.000000 10.645741\nNa Mn P O\n4 4 4 16\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.983811 0.750000 0.216975 Mn\n0.516189 0.750000 0.716975 Mn\n0.483811 0.250000 0.283025 Mn\n0.016189 0.250000 0.783025 Mn\n0.429909 0.750000 0.395911 P\n0.070091 0.750000 0.895911 P\n0.929909 0.250000 0.104089 P\n0.570091 0.250000 0.604089 P\n0.300168 0.557071 0.328087 O\n0.199832 0.557071 0.828087 O\n0.165595 0.750000 0.035114 O\n0.334405 0.750000 0.535114 O\n0.734084 0.750000 0.387347 O\n0.765916 0.750000 0.887347 O\n0.300168 0.942929 0.328087 O\n0.199832 0.942929 0.828087 O\n0.699832 0.057071 0.671913 O\n0.800168 0.057071 0.171913 O\n0.665595 0.250000 0.464886 O\n0.234084 0.250000 0.112653 O\n0.834405 0.250000 0.964886 O\n0.265916 0.250000 0.612653 O\n0.800168 0.442929 0.171913 O\n0.699832 0.442929 0.671913 O\n",
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{
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{
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{
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"formula_full": "Li6 Fe6 Si6 O24",
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{
"id": "mp-1111039",
"created_at": "2022-09-04T14:42:19.227616Z",
"structure_string": "Cs1 Rb2 Ga1 I6\n1.0\n0.000000 6.407277 6.407277\n6.407277 0.000000 6.407277\n6.407277 6.407277 0.000000\nCs Rb Ga I\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.780404 0.219596 0.219596 I\n0.219596 0.219596 0.780404 I\n0.219596 0.780404 0.780404 I\n0.219596 0.780404 0.219596 I\n0.780404 0.219596 0.780404 I\n0.780404 0.780404 0.219596 I\n",
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],
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"density_atomic": 0.019008572552021354,
"volume": 526.0784297522966,
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"formula_full": "Cs1 Rb2 Ga1 I6",
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},
{
"id": "mp-698633",
"created_at": "2022-09-04T14:42:19.218835Z",
"structure_string": "K6 Sc2 H12 O12\n1.0\n6.197692 4.740065 0.000000\n-6.197692 4.740065 0.000000\n0.000000 0.217792 8.558369\nK Sc H O\n6 2 12 12\ndirect\n0.604183 0.395817 0.750000 K\n0.395817 0.604183 0.250000 K\n0.088202 0.241459 0.617067 K\n0.758541 0.911798 0.882933 K\n0.911798 0.758541 0.382933 K\n0.241459 0.088202 0.117067 K\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.148567 0.783203 0.728813 H\n0.216797 0.851433 0.771187 H\n0.851433 0.216797 0.271187 H\n0.783203 0.148567 0.228813 H\n0.246507 0.709794 0.515799 H\n0.290206 0.753493 0.984201 H\n0.753493 0.290206 0.484201 H\n0.709794 0.246507 0.015799 H\n0.366255 0.589286 0.787517 H\n0.410714 0.633745 0.712483 H\n0.633745 0.410714 0.212483 H\n0.589286 0.366255 0.287517 H\n0.215798 0.389095 0.990046 O\n0.610905 0.784202 0.509954 O\n0.784202 0.610905 0.009954 O\n0.389095 0.215798 0.490046 O\n0.876589 0.638644 0.848791 O\n0.361356 0.123411 0.651209 O\n0.123411 0.361356 0.151209 O\n0.638644 0.876589 0.348791 O\n0.806701 0.249470 0.941316 O\n0.750530 0.193299 0.558684 O\n0.193299 0.750530 0.058684 O\n0.249470 0.806701 0.441316 O\n",
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"formula_full": "K6 Sc2 H12 O12",
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"spacegroup": 15
},
{
"id": "mp-769508",
"created_at": "2022-09-04T14:42:19.227917Z",
"structure_string": "Li8 Ti4 Mn14 O36\n1.0\n2.948348 0.000000 0.000000\n0.000000 9.045834 0.000000\n0.000000 0.000000 25.019483\nLi Ti Mn O\n8 4 14 36\ndirect\n0.500000 0.690091 0.489245 Li\n0.500000 0.693532 0.706508 Li\n0.500000 0.806468 0.206508 Li\n0.500000 0.809909 0.989245 Li\n0.500000 0.190091 0.010755 Li\n0.500000 0.193532 0.793492 Li\n0.500000 0.306468 0.293492 Li\n0.500000 0.309909 0.510755 Li\n0.500000 0.503210 0.604023 Ti\n0.500000 0.996790 0.104023 Ti\n0.500000 0.003210 0.895977 Ti\n0.500000 0.496790 0.395977 Ti\n0.500000 0.500000 0.000000 Mn\n0.500000 0.523916 0.810148 Mn\n0.000000 0.643361 0.086118 Mn\n0.000000 0.647308 0.305969 Mn\n0.000000 0.852692 0.805969 Mn\n0.000000 0.856639 0.586118 Mn\n0.500000 0.976084 0.310148 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.023916 0.689852 Mn\n0.000000 0.143361 0.413882 Mn\n0.000000 0.147308 0.194031 Mn\n0.000000 0.352692 0.694031 Mn\n0.000000 0.356639 0.913882 Mn\n0.500000 0.476084 0.189852 Mn\n0.500000 0.498494 0.923711 O\n0.500000 0.501506 0.076289 O\n0.000000 0.554010 0.440728 O\n0.000000 0.549053 0.660619 O\n0.000000 0.601032 0.161757 O\n0.500000 0.605426 0.258556 O\n0.000000 0.660337 0.008722 O\n0.000000 0.648842 0.781406 O\n0.500000 0.688024 0.354963 O\n0.500000 0.710058 0.587813 O\n0.500000 0.789942 0.087813 O\n0.500000 0.811976 0.854963 O\n0.000000 0.851158 0.281406 O\n0.000000 0.839663 0.508722 O\n0.500000 0.894574 0.758556 O\n0.000000 0.898968 0.661757 O\n0.000000 0.950947 0.160619 O\n0.000000 0.945990 0.940728 O\n0.500000 0.998494 0.576289 O\n0.500000 0.001506 0.423711 O\n0.000000 0.054010 0.059272 O\n0.000000 0.049053 0.839381 O\n0.000000 0.101032 0.338243 O\n0.500000 0.105426 0.241444 O\n0.000000 0.160337 0.491278 O\n0.000000 0.148842 0.718594 O\n0.500000 0.188024 0.145037 O\n0.500000 0.210058 0.912187 O\n0.500000 0.289942 0.412187 O\n0.500000 0.311976 0.645037 O\n0.000000 0.351158 0.218594 O\n0.000000 0.339663 0.991278 O\n0.500000 0.394574 0.741444 O\n0.000000 0.398968 0.838243 O\n0.000000 0.450947 0.339381 O\n0.000000 0.445990 0.559272 O\n",
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}
]
}