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{
"id": "mp-1208115",
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"structure_string": "V4 N2 O10\n1.0\n1.832466 5.830790 0.000000\n-1.832466 5.830790 0.000000\n0.000000 0.404415 11.648145\nV N O\n4 2 10\ndirect\n0.779124 0.779124 0.339006 V\n0.220876 0.220876 0.660994 V\n0.930013 0.930013 0.657999 V\n0.069987 0.069987 0.342001 V\n0.544698 0.544698 0.981531 N\n0.455302 0.455302 0.018469 N\n0.392381 0.392381 0.627991 O\n0.607619 0.607619 0.372009 O\n0.202708 0.202708 0.797292 O\n0.797292 0.797292 0.202708 O\n0.922178 0.922178 0.398875 O\n0.077822 0.077822 0.601125 O\n0.758552 0.758552 0.625487 O\n0.241448 0.241448 0.374513 O\n0.938936 0.938936 0.794424 O\n0.061064 0.061064 0.205576 O\n",
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{
"id": "mp-1223740",
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"structure_string": "K4 H16 Pb4 I12 O8\n1.0\n4.628733 0.000000 0.000000\n0.000000 10.393478 0.000000\n0.000000 0.000000 22.909779\nK H Pb I O\n4 16 4 12 8\ndirect\n0.249723 0.361194 0.799327 K\n0.249723 0.861194 0.700673 K\n0.749723 0.638806 0.200673 K\n0.749723 0.138806 0.299327 K\n0.749626 0.417732 0.906750 H\n0.749626 0.917732 0.593250 H\n0.249626 0.582268 0.093250 H\n0.249626 0.082268 0.406750 H\n0.750621 0.530003 0.862168 H\n0.750621 0.030003 0.637832 H\n0.250621 0.469997 0.137832 H\n0.250621 0.969997 0.362168 H\n0.753328 0.354884 0.007478 H\n0.753328 0.854884 0.492522 H\n0.253328 0.645116 0.992522 H\n0.253328 0.145116 0.507478 H\n0.572313 0.481110 0.996311 H\n0.072313 0.518890 0.003689 H\n0.072313 0.018890 0.496311 H\n0.572313 0.981110 0.503689 H\n0.750020 0.957873 0.905100 Pb\n0.750020 0.457873 0.594900 Pb\n0.250020 0.042127 0.094900 Pb\n0.250020 0.542127 0.405100 Pb\n0.748556 0.843143 0.048533 I\n0.748556 0.343143 0.451467 I\n0.248556 0.156857 0.951467 I\n0.248556 0.656857 0.548533 I\n0.248930 0.751690 0.869420 I\n0.248930 0.251690 0.630580 I\n0.748930 0.248310 0.130580 I\n0.748930 0.748310 0.369420 I\n0.749921 0.083327 0.783836 I\n0.749921 0.583327 0.716164 I\n0.249921 0.916673 0.216164 I\n0.249921 0.416673 0.283836 I\n0.749136 0.435866 0.864185 O\n0.749136 0.935866 0.635815 O\n0.249136 0.564134 0.135815 O\n0.249136 0.064134 0.364185 O\n0.756526 0.435972 0.985780 O\n0.756526 0.935972 0.514220 O\n0.256526 0.564028 0.014220 O\n0.256526 0.064028 0.485780 O\n",
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"formula_full": "K4 H16 Pb4 I12 O8",
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{
"id": "mp-1113384",
"created_at": "2022-09-04T14:47:01.333087Z",
"structure_string": "Rb2 Ga1 Hg1 Br6\n1.0\n0.000000 5.546088 5.546088\n5.546088 0.000000 5.546088\n5.546088 5.546088 0.000000\nRb Ga Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.763105 0.236895 0.236895 Br\n0.236895 0.236895 0.763105 Br\n0.236895 0.763105 0.763105 Br\n0.236895 0.763105 0.236895 Br\n0.763105 0.236895 0.763105 Br\n0.763105 0.763105 0.236895 Br\n",
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"formula_full": "Rb2 Ga1 Hg1 Br6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:37:46.872000Z",
"spacegroup": 225
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{
"id": "mp-1212425",
"created_at": "2022-09-04T14:47:01.336788Z",
"structure_string": "K4 P8 Pt2 W2 Cl2 O20\n1.0\n8.387092 -0.573139 -0.253035\n-3.697983 6.903994 -4.657026\n1.457820 1.026012 10.661755\nK P Pt W Cl O\n4 8 2 2 2 20\ndirect\n0.226735 0.090318 0.855385 K\n0.773265 0.909682 0.144615 K\n0.118747 0.719361 0.955781 K\n0.881253 0.280639 0.044219 K\n0.217693 0.318787 0.623464 P\n0.782307 0.681213 0.376536 P\n0.242292 0.124063 0.323368 P\n0.757708 0.875937 0.676632 P\n0.704116 0.300871 0.394171 P\n0.295884 0.699129 0.605829 P\n0.301424 0.480413 0.288331 P\n0.698576 0.519587 0.711669 P\n0.507656 0.403208 0.355660 Pt\n0.492344 0.596792 0.644340 Pt\n0.213853 0.795031 0.406538 W\n0.786147 0.204969 0.593462 W\n0.515015 0.240311 0.096144 Cl\n0.484985 0.759689 0.903856 Cl\n0.169002 0.323101 0.156395 O\n0.830998 0.676899 0.843605 O\n0.291028 0.990426 0.348349 O\n0.708972 0.009574 0.651651 O\n0.046633 0.351604 0.686235 O\n0.953367 0.648396 0.313765 O\n0.124276 0.189832 0.452068 O\n0.875724 0.810168 0.547932 O\n0.243808 0.195914 0.666109 O\n0.756192 0.804086 0.333891 O\n0.363809 0.672794 0.283321 O\n0.636191 0.327206 0.716679 O\n0.118068 0.008900 0.184648 O\n0.881932 0.991100 0.815352 O\n0.183222 0.549236 0.433441 O\n0.816778 0.450764 0.566559 O\n0.645241 0.115887 0.410213 O\n0.354759 0.884113 0.589787 O\n0.168687 0.712436 0.712851 O\n0.831313 0.287564 0.287149 O\n",
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"elements": [
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],
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"formula_full": "K4 P8 Pt2 W2 Cl2 O20",
"formula_reduced": "K2P4PtWClO10",
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{
"id": "mp-777542",
"created_at": "2022-09-04T14:47:01.342489Z",
"structure_string": "Fe10 O6 F14\n1.0\n15.624872 0.000000 0.000000\n0.000000 4.821853 0.000000\n0.000000 0.125822 4.820731\nFe O F\n10 6 14\ndirect\n0.398466 0.020909 0.980057 Fe\n0.601534 0.020909 0.980057 Fe\n0.807188 0.959446 0.019702 Fe\n0.000000 0.979115 0.971212 Fe\n0.192812 0.959446 0.019702 Fe\n0.500000 0.476922 0.523518 Fe\n0.894815 0.525749 0.508067 Fe\n0.699434 0.496674 0.495555 Fe\n0.105185 0.525749 0.508067 Fe\n0.300566 0.496674 0.495555 Fe\n0.900263 0.816218 0.817339 O\n0.099737 0.816218 0.817339 O\n0.791007 0.688894 0.309750 O\n0.208993 0.688894 0.309750 O\n0.397794 0.322640 0.675522 O\n0.602206 0.322640 0.675522 O\n0.500000 0.803820 0.786720 F\n0.703727 0.798384 0.801631 F\n0.296273 0.798384 0.801631 F\n0.402336 0.701834 0.296981 F\n0.597664 0.701834 0.296981 F\n0.000000 0.712871 0.296487 F\n0.791949 0.286171 0.715812 F\n0.000000 0.309651 0.695714 F\n0.208051 0.286171 0.715812 F\n0.500000 0.214051 0.196173 F\n0.901864 0.190757 0.196229 F\n0.705178 0.194108 0.198442 F\n0.294822 0.194108 0.198442 F\n0.098136 0.190757 0.196229 F\n",
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"formula_full": "Fe10 O6 F14",
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{
"id": "mp-1192488",
"created_at": "2022-09-04T14:47:01.344487Z",
"structure_string": "Al4 Te4 Cl14\n1.0\n8.664986 -0.715187 -0.285600\n-0.897578 11.267063 -0.321685\n-0.415645 -0.363588 12.463258\nAl Te Cl\n4 4 14\ndirect\n0.614896 0.835020 0.700536 Al\n0.385104 0.164980 0.299464 Al\n0.805857 0.411893 0.845395 Al\n0.194143 0.588107 0.154605 Al\n0.930449 0.896895 0.960145 Te\n0.069551 0.103105 0.039855 Te\n0.860863 0.453377 0.469914 Te\n0.139137 0.546623 0.530086 Te\n0.607951 0.827704 0.880875 Cl\n0.392049 0.172296 0.119125 Cl\n0.857891 0.882181 0.671613 Cl\n0.142109 0.117819 0.328387 Cl\n0.528710 0.654617 0.635090 Cl\n0.471290 0.345383 0.364910 Cl\n0.471674 0.960544 0.652339 Cl\n0.528326 0.039456 0.347661 Cl\n0.793595 0.371433 0.006248 Cl\n0.206405 0.628567 0.993752 Cl\n0.760339 0.274009 0.725401 Cl\n0.239661 0.725991 0.274599 Cl\n0.863094 0.587927 0.804147 Cl\n0.136906 0.412073 0.195853 Cl\n",
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{
"id": "mp-1273464",
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"structure_string": "Li4 Fe6 Sn2 O16\n1.0\n-2.969756 5.166438 0.038142\n-2.987870 -1.660372 9.598166\n3.106020 5.245972 0.082469\nLi Fe Sn O\n4 6 2 16\ndirect\n0.313252 0.564236 0.364943 Li\n0.821269 0.063946 0.363230 Li\n0.187083 0.935856 0.634274 Li\n0.678663 0.436061 0.637385 Li\n0.250229 0.750281 0.999731 Fe\n0.750039 0.749978 0.999550 Fe\n0.993617 0.499144 0.001073 Fe\n0.749948 0.249934 0.000235 Fe\n0.249764 0.250113 0.000513 Fe\n0.506223 0.000736 0.999197 Fe\n0.749998 0.749722 0.499933 Sn\n0.249925 0.250289 0.500285 Sn\n0.086809 0.633943 0.798066 O\n0.604451 0.134493 0.802451 O\n0.413145 0.866588 0.201382 O\n0.895780 0.364754 0.198008 O\n0.875473 0.859571 0.226390 O\n0.406453 0.361235 0.231485 O\n0.110407 0.622089 0.225446 O\n0.622971 0.127708 0.219724 O\n0.651877 0.631670 0.226189 O\n0.161084 0.129253 0.226827 O\n0.848918 0.867766 0.772657 O\n0.337963 0.371475 0.774592 O\n0.389374 0.877218 0.773868 O\n0.877132 0.372677 0.780204 O\n0.624157 0.640375 0.773782 O\n0.093996 0.138892 0.768581 O\n",
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{
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"structure_string": "Gd8 Ni2 B26\n1.0\n7.357506 0.000000 0.000000\n0.000000 7.357506 0.000000\n0.000000 0.000000 6.980206\nGd Ni B\n8 2 26\ndirect\n0.685443 0.180050 0.500000 Gd\n0.314557 0.819950 0.500000 Gd\n0.185443 0.319950 0.000000 Gd\n0.814557 0.680050 0.000000 Gd\n0.819950 0.685443 0.500000 Gd\n0.180050 0.314557 0.500000 Gd\n0.680050 0.185443 0.000000 Gd\n0.319950 0.814557 0.000000 Gd\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.906851 0.406851 0.250000 B\n0.093149 0.593149 0.250000 B\n0.406851 0.093149 0.750000 B\n0.593149 0.906851 0.750000 B\n0.593149 0.906851 0.250000 B\n0.406851 0.093149 0.250000 B\n0.906851 0.406851 0.750000 B\n0.093149 0.593149 0.750000 B\n0.539912 0.669947 0.244038 B\n0.460088 0.330053 0.244038 B\n0.039912 0.830053 0.744038 B\n0.960088 0.169947 0.744038 B\n0.330053 0.539912 0.244038 B\n0.669947 0.460088 0.244038 B\n0.169947 0.039912 0.744038 B\n0.830053 0.960088 0.744038 B\n0.460088 0.330053 0.755962 B\n0.539912 0.669947 0.755962 B\n0.960088 0.169947 0.255962 B\n0.039912 0.830053 0.255962 B\n0.669947 0.460088 0.755962 B\n0.330053 0.539912 0.755962 B\n0.830053 0.960088 0.255962 B\n0.169947 0.039912 0.255962 B\n",
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{
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{
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{
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{
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"structure_string": "Cu6 W12 O42\n1.0\n9.325025 0.000000 0.000000\n0.000000 10.686638 0.000000\n0.000000 0.648605 11.799476\nCu W O\n6 12 42\ndirect\n0.932158 0.412073 0.195126 Cu\n0.067842 0.587927 0.804874 Cu\n0.430292 0.250000 0.500000 Cu\n0.932158 0.087927 0.804874 Cu\n0.569708 0.750000 0.500000 Cu\n0.067842 0.912073 0.195126 Cu\n0.208618 0.290828 0.840972 W\n0.752123 0.381077 0.831654 W\n0.247877 0.881077 0.831654 W\n0.791382 0.790828 0.840972 W\n0.297027 0.961368 0.531607 W\n0.752123 0.118923 0.168346 W\n0.702973 0.461368 0.531607 W\n0.247877 0.618923 0.168346 W\n0.297027 0.538632 0.468393 W\n0.702973 0.038632 0.468393 W\n0.791382 0.709172 0.159028 W\n0.208618 0.209172 0.159028 W\n0.792327 0.957797 0.803308 O\n0.791399 0.284984 0.166514 O\n0.820042 0.750000 0.000000 O\n0.869631 0.102460 0.497792 O\n0.360832 0.589653 0.055283 O\n0.928630 0.712791 0.761605 O\n0.334388 0.937710 0.690432 O\n0.130369 0.602460 0.497792 O\n0.713575 0.874589 0.516662 O\n0.360832 0.910347 0.944717 O\n0.713575 0.625411 0.483338 O\n0.433065 0.877980 0.453301 O\n0.917633 0.031845 0.150404 O\n0.071370 0.212791 0.761605 O\n0.665612 0.062290 0.309568 O\n0.334388 0.562290 0.309568 O\n0.928630 0.787209 0.238395 O\n0.639168 0.410347 0.944717 O\n0.207673 0.457797 0.803308 O\n0.566935 0.122020 0.546699 O\n0.374283 0.267039 0.201582 O\n0.286425 0.125411 0.483338 O\n0.082367 0.531845 0.150404 O\n0.286425 0.374589 0.516662 O\n0.869631 0.397540 0.502208 O\n0.566935 0.377980 0.453301 O\n0.130369 0.897540 0.502208 O\n0.625717 0.767039 0.201582 O\n0.625717 0.732961 0.798418 O\n0.082367 0.968155 0.849596 O\n0.071370 0.287209 0.238395 O\n0.792327 0.542203 0.196692 O\n0.179958 0.250000 0.000000 O\n0.208601 0.784984 0.166514 O\n0.639168 0.089653 0.055283 O\n0.917633 0.468155 0.849596 O\n0.207673 0.042203 0.196692 O\n0.791399 0.215016 0.833486 O\n0.433065 0.622020 0.546699 O\n0.665612 0.437710 0.690432 O\n0.208601 0.715016 0.833486 O\n0.374283 0.232961 0.798418 O\n",
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]
}