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{
"id": "mp-28163",
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{
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"formula_full": "K4 Dy4 H8 S8 O36",
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{
"id": "mp-766593",
"created_at": "2022-09-04T14:46:15.525054Z",
"structure_string": "Li12 Ni4 P4 C4 O28\n1.0\n6.329108 0.000000 0.000000\n0.000000 9.411781 0.000000\n0.000000 4.276374 8.755950\nLi Ni P C O\n12 4 4 4 28\ndirect\n0.249964 0.099946 0.316958 Li\n0.250036 0.099946 0.816958 Li\n0.009258 0.278186 0.491440 Li\n0.490742 0.278186 0.991440 Li\n0.751506 0.347606 0.686274 Li\n0.748494 0.347606 0.186274 Li\n0.248494 0.652394 0.313726 Li\n0.251506 0.652394 0.813726 Li\n0.990742 0.721814 0.508560 Li\n0.509258 0.721814 0.008560 Li\n0.750036 0.900054 0.683042 Li\n0.749964 0.900054 0.183042 Li\n0.490581 0.274272 0.487563 Ni\n0.009419 0.274272 0.987563 Ni\n0.509419 0.725728 0.512437 Ni\n0.990581 0.725728 0.012437 Ni\n0.247838 0.409086 0.684928 P\n0.252162 0.409086 0.184928 P\n0.752162 0.590914 0.315072 P\n0.747838 0.590914 0.815072 P\n0.740220 0.038853 0.378451 C\n0.759780 0.038853 0.878451 C\n0.259780 0.961147 0.621549 C\n0.240220 0.961147 0.121549 C\n0.748600 0.069061 0.738080 O\n0.751400 0.069061 0.238080 O\n0.264987 0.109921 0.514957 O\n0.739522 0.149290 0.423502 O\n0.235013 0.109921 0.014957 O\n0.760478 0.149290 0.923502 O\n0.054360 0.315721 0.675622 O\n0.441023 0.308525 0.679630 O\n0.058977 0.308525 0.179630 O\n0.445640 0.315721 0.175622 O\n0.740980 0.420439 0.444765 O\n0.255784 0.419214 0.340991 O\n0.759020 0.420439 0.944765 O\n0.244216 0.419214 0.840991 O\n0.744216 0.580786 0.659009 O\n0.259020 0.579561 0.555235 O\n0.755784 0.580786 0.159009 O\n0.240980 0.579561 0.055235 O\n0.945640 0.684279 0.324378 O\n0.558977 0.691475 0.320370 O\n0.941023 0.691475 0.820370 O\n0.554360 0.684279 0.824378 O\n0.260478 0.850710 0.576498 O\n0.735013 0.890079 0.485043 O\n0.239522 0.850710 0.076498 O\n0.764987 0.890079 0.985043 O\n0.251400 0.930939 0.261920 O\n0.248600 0.930939 0.761920 O\n",
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"formula_full": "Li12 Ni4 P4 C4 O28",
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{
"id": "mp-1019586",
"created_at": "2022-09-04T14:46:15.525936Z",
"structure_string": "Ca2 Al4 Si2 O12\n1.0\n4.360734 4.860545 0.000000\n-4.360734 4.860545 0.000000\n0.000000 1.478667 5.128195\nCa Al Si O\n2 4 2 12\ndirect\n0.688723 0.311277 0.000000 Ca\n0.310880 0.689120 0.500000 Ca\n0.616107 0.813944 0.961428 Al\n0.186056 0.383893 0.038572 Al\n0.090720 0.909280 0.000000 Al\n0.908906 0.091094 0.500000 Al\n0.386144 0.194884 0.533893 Si\n0.805116 0.613856 0.466107 Si\n0.822003 0.986874 0.862444 O\n0.357860 0.898353 0.071364 O\n0.629549 0.657560 0.723570 O\n0.013126 0.177997 0.137556 O\n0.101647 0.642140 0.928636 O\n0.342440 0.370451 0.276430 O\n0.195368 0.030929 0.618457 O\n0.625356 0.097948 0.446195 O\n0.377820 0.328943 0.763628 O\n0.969071 0.804632 0.381543 O\n0.902052 0.374644 0.553805 O\n0.671057 0.622180 0.236372 O\n",
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{
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"structure_string": "Zr4 S4 Cl24 O4\n1.0\n23.992339 0.000000 0.000000\n0.000000 7.208252 0.000000\n0.000000 3.037569 6.931585\nZr S Cl O\n4 4 24 4\ndirect\n0.929584 0.992193 0.153448 Zr\n0.070416 0.007807 0.846552 Zr\n0.429584 0.507807 0.846552 Zr\n0.570416 0.492193 0.153448 Zr\n0.371015 0.126882 0.321360 S\n0.128985 0.626882 0.321360 S\n0.628985 0.873118 0.678640 S\n0.871015 0.373118 0.678640 S\n0.294730 0.255542 0.335841 Cl\n0.967427 0.763285 0.448497 Cl\n0.102277 0.753450 0.746364 Cl\n0.976587 0.808338 0.956653 Cl\n0.532573 0.263285 0.448497 Cl\n0.476587 0.691662 0.043347 Cl\n0.844493 0.820409 0.158037 Cl\n0.602277 0.746550 0.253636 Cl\n0.705270 0.744458 0.664159 Cl\n0.843773 0.584687 0.779700 Cl\n0.156227 0.415313 0.220300 Cl\n0.155507 0.179591 0.841963 Cl\n0.523413 0.308338 0.956653 Cl\n0.656227 0.084687 0.779700 Cl\n0.032573 0.236715 0.551503 Cl\n0.023413 0.191662 0.043347 Cl\n0.467427 0.736715 0.551503 Cl\n0.397723 0.253450 0.746364 Cl\n0.897723 0.246550 0.253636 Cl\n0.344493 0.679591 0.841963 Cl\n0.655507 0.320409 0.158037 Cl\n0.343773 0.915313 0.220300 Cl\n0.794730 0.244458 0.664159 Cl\n0.205270 0.755542 0.335841 Cl\n0.902779 0.219394 0.835494 O\n0.597221 0.719394 0.835494 O\n0.097221 0.780606 0.164506 O\n0.402779 0.280606 0.164506 O\n",
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{
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"structure_string": "Cs4 Ta4 Cu8 Te16\n1.0\n6.055441 0.000000 0.000000\n0.000000 8.363674 0.000000\n0.000000 0.000000 21.130155\nCs Ta Cu Te\n4 4 8 16\ndirect\n0.015643 0.705818 0.438369 Cs\n0.515643 0.294182 0.561631 Cs\n0.515643 0.794182 0.938369 Cs\n0.015643 0.205818 0.061631 Cs\n0.259181 0.705228 0.148190 Ta\n0.759181 0.294772 0.851810 Ta\n0.759181 0.794772 0.648190 Ta\n0.259181 0.205228 0.351810 Ta\n0.266671 0.962680 0.247119 Cu\n0.766671 0.037320 0.752881 Cu\n0.766671 0.537320 0.747119 Cu\n0.266671 0.462680 0.252881 Cu\n0.259318 0.793810 0.647572 Cu\n0.759318 0.206190 0.352428 Cu\n0.759318 0.706190 0.147572 Cu\n0.259318 0.293810 0.852428 Cu\n0.510605 0.964009 0.143991 Te\n0.010605 0.035991 0.856009 Te\n0.010605 0.535991 0.643991 Te\n0.510605 0.464009 0.356009 Te\n0.512169 0.948586 0.349123 Te\n0.012169 0.051414 0.650877 Te\n0.012169 0.551414 0.849123 Te\n0.512169 0.448586 0.150877 Te\n0.002254 0.712493 0.250715 Te\n0.502254 0.287507 0.749285 Te\n0.502254 0.787507 0.750715 Te\n0.002254 0.212493 0.249285 Te\n0.009560 0.693089 0.046382 Te\n0.509560 0.306911 0.953618 Te\n0.509560 0.806911 0.546382 Te\n0.009560 0.193089 0.453618 Te\n",
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{
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{
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"structure_string": "Pm1 Dy1 Ru2\n1.0\n0.000000 3.447692 3.447692\n3.447692 0.000000 3.447692\n3.447692 3.447692 0.000000\nPm Dy Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Dy\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
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{
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{
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{
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{
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"structure_string": "Cs12 Tl6 O3\n1.0\n7.834558 -6.213024 0.000000\n7.834558 6.213024 0.000000\n2.907456 0.000000 9.567062\nCs Tl O\n12 6 3\ndirect\n0.015021 0.712544 0.015021 Cs\n0.015021 0.015021 0.712544 Cs\n0.712544 0.015021 0.015021 Cs\n0.984979 0.287456 0.984979 Cs\n0.984979 0.984979 0.287456 Cs\n0.287456 0.984979 0.984979 Cs\n0.632566 0.961960 0.632566 Cs\n0.632566 0.632566 0.961960 Cs\n0.961960 0.632566 0.632566 Cs\n0.367434 0.038040 0.367434 Cs\n0.367434 0.367434 0.038040 Cs\n0.038040 0.367434 0.367434 Cs\n0.347944 0.612723 0.347944 Tl\n0.347944 0.347944 0.612723 Tl\n0.612723 0.347944 0.347944 Tl\n0.652056 0.387277 0.652056 Tl\n0.652056 0.652056 0.387277 Tl\n0.387277 0.652056 0.652056 Tl\n0.180226 0.180226 0.180226 O\n0.819774 0.819774 0.819774 O\n0.000000 0.000000 0.000000 O\n",
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}