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{
"id": "mp-1201649",
"created_at": "2022-09-04T14:47:06.136785Z",
"structure_string": "Ti4 Be34\n1.0\n3.665035 -6.348026 0.000000\n3.665035 6.348026 0.000000\n0.000000 0.000000 7.157078\nTi Be\n4 34\ndirect\n0.000000 0.000000 0.250000 Ti\n0.000000 0.000000 0.750000 Ti\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n0.333333 0.666667 0.397983 Be\n0.666667 0.333333 0.602017 Be\n0.666667 0.333333 0.897983 Be\n0.333333 0.666667 0.102017 Be\n0.500000 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.000000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.330723 0.369635 0.250000 Be\n0.630365 0.961088 0.250000 Be\n0.038912 0.669277 0.250000 Be\n0.630365 0.669277 0.250000 Be\n0.038912 0.369635 0.250000 Be\n0.330723 0.961088 0.250000 Be\n0.669277 0.630365 0.750000 Be\n0.369635 0.038912 0.750000 Be\n0.961088 0.330723 0.750000 Be\n0.369635 0.330723 0.750000 Be\n0.961088 0.630365 0.750000 Be\n0.669277 0.038912 0.750000 Be\n0.164420 0.835580 0.514860 Be\n0.164420 0.328840 0.514860 Be\n0.671160 0.835580 0.514860 Be\n0.835580 0.164420 0.485140 Be\n0.835580 0.671160 0.485140 Be\n0.328840 0.164420 0.485140 Be\n0.835580 0.164420 0.014860 Be\n0.835580 0.671160 0.014860 Be\n0.328840 0.164420 0.014860 Be\n0.164420 0.835580 0.985140 Be\n0.164420 0.328840 0.985140 Be\n0.671160 0.835580 0.985140 Be\n",
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{
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"created_at": "2022-09-04T14:47:06.137324Z",
"structure_string": "Rb2 Y1 Cu1 F6\n1.0\n0.000000 4.475656 4.475656\n4.475656 0.000000 4.475656\n4.475656 4.475656 0.000000\nRb Y Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.744466 0.255534 0.255534 F\n0.255534 0.255534 0.744466 F\n0.255534 0.744466 0.744466 F\n0.255534 0.744466 0.255534 F\n0.744466 0.255534 0.744466 F\n0.744466 0.744466 0.255534 F\n",
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"volume": 179.30817616508617,
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"formula_full": "Rb2 Y1 Cu1 F6",
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{
"id": "mp-1221913",
"created_at": "2022-09-04T14:47:06.138677Z",
"structure_string": "Na6 Mg4 Mn8 Be12 Si18 Sn6 O78\n1.0\n-0.001022 0.000000 -6.913751\n0.000000 13.433944 0.000000\n16.360366 -6.716972 -3.454467\nNa Mg Mn Be Si Sn O\n6 4 8 12 18 6 78\ndirect\n0.499195 0.500437 0.001393 Na\n0.833775 0.167309 0.333723 Na\n0.166903 0.833719 0.667099 Na\n0.499558 0.000252 0.999610 Na\n0.834138 0.665711 0.331940 Na\n0.166431 0.333287 0.666235 Na\n0.666667 0.712681 0.166667 Mg\n0.000309 0.380320 0.500083 Mg\n0.333024 0.046904 0.833250 Mg\n0.166667 0.453928 0.166667 Mg\n0.499994 0.121706 0.499949 Mn\n0.833339 0.788423 0.833384 Mn\n0.833845 0.545844 0.833678 Mn\n0.166667 0.214778 0.166667 Mn\n0.499488 0.878833 0.499655 Mn\n0.334023 0.286276 0.834068 Mn\n0.666667 0.952510 0.166667 Mn\n0.999310 0.618875 0.499265 Mn\n0.569653 0.204519 0.912795 Be\n0.904672 0.870656 0.245466 Be\n0.235673 0.538002 0.579335 Be\n0.514974 0.707743 0.913265 Be\n0.851423 0.376246 0.246107 Be\n0.181602 0.041078 0.579949 Be\n0.428661 0.791856 0.087867 Be\n0.763680 0.458392 0.420538 Be\n0.097661 0.125334 0.753999 Be\n0.481910 0.296805 0.087226 Be\n0.818359 0.961144 0.420068 Be\n0.151732 0.627797 0.753385 Be\n0.332972 0.501534 0.833795 Si\n0.666667 0.168336 0.166667 Si\n0.000361 0.834405 0.499538 Si\n0.833828 0.331332 0.833614 Si\n0.166667 0.998127 0.166667 Si\n0.499505 0.664384 0.499719 Si\n0.166667 0.666877 0.166667 Si\n0.500001 0.336080 0.500016 Si\n0.833332 0.002731 0.833317 Si\n0.666667 0.499903 0.166667 Si\n0.999946 0.167384 0.500028 Si\n0.333387 0.834023 0.833305 Si\n0.865104 0.750338 0.000787 Si\n0.198458 0.416997 0.333168 Si\n0.531485 0.083241 0.667337 Si\n0.134875 0.250495 0.000165 Si\n0.468229 0.916218 0.332546 Si\n0.801849 0.582572 0.665997 Si\n0.999215 0.500667 0.001700 Sn\n0.331562 0.167238 0.333828 Sn\n0.665356 0.833490 0.667112 Sn\n0.001771 0.000076 0.999505 Sn\n0.334118 0.665634 0.331633 Sn\n0.667978 0.333046 0.666222 Sn\n0.372096 0.718321 0.143397 O\n0.706262 0.385901 0.476926 O\n0.039602 0.052400 0.810071 O\n0.484848 0.425113 0.143400 O\n0.822036 0.090148 0.475137 O\n0.155276 0.756855 0.808527 O\n0.154350 0.552208 0.807939 O\n0.486754 0.218985 0.141302 O\n0.820535 0.885995 0.475075 O\n0.038184 0.255237 0.808192 O\n0.370678 0.921918 0.141498 O\n0.704544 0.588589 0.474637 O\n0.628789 0.280618 0.858696 O\n0.962655 0.947087 0.191835 O\n0.295150 0.613712 0.525142 O\n0.512798 0.577585 0.858258 O\n0.846579 0.244350 0.192031 O\n0.178984 0.910936 0.525395 O\n0.848485 0.448380 0.189933 O\n0.178058 0.114995 0.524807 O\n0.511297 0.781677 0.858196 O\n0.961237 0.741591 0.189936 O\n0.293731 0.408996 0.523263 O\n0.627071 0.075641 0.856407 O\n0.991169 0.851077 0.000218 O\n0.325827 0.518127 0.335052 O\n0.657603 0.184118 0.666844 O\n0.008573 0.149903 0.001227 O\n0.341462 0.816478 0.334681 O\n0.673560 0.483068 0.668229 O\n0.007506 0.349740 0.998281 O\n0.342164 0.017526 0.333115 O\n0.675731 0.683941 0.666490 O\n0.991871 0.648463 0.998652 O\n0.324760 0.315343 0.332106 O\n0.659774 0.981506 0.665105 O\n0.168214 0.545540 0.091667 O\n0.502536 0.214633 0.424311 O\n0.836042 0.881155 0.757658 O\n0.740093 0.546139 0.091631 O\n0.074560 0.213197 0.425192 O\n0.408111 0.879701 0.758389 O\n0.407777 0.380507 0.758307 O\n0.741102 0.047544 0.091306 O\n0.075581 0.714765 0.423897 O\n0.834614 0.375294 0.757589 O\n0.167727 0.042575 0.090969 O\n0.500481 0.708953 0.424177 O\n0.832852 0.451443 0.909156 O\n0.165607 0.118273 0.242365 O\n0.498719 0.784371 0.575744 O\n0.257752 0.457535 0.909436 O\n0.592232 0.122905 0.242028 O\n0.925556 0.788866 0.575026 O\n0.593241 0.621175 0.241703 O\n0.925222 0.287978 0.574944 O\n0.258773 0.954672 0.908141 O\n0.165120 0.620540 0.241667 O\n0.497291 0.290162 0.575675 O\n0.830797 0.956989 0.909022 O\n0.763976 0.710756 0.918068 O\n0.098665 0.379434 0.250921 O\n0.430930 0.043566 0.584469 O\n0.316798 0.206352 0.917070 O\n0.649993 0.872861 0.250008 O\n0.983132 0.538628 0.583906 O\n0.234669 0.295180 0.082413 O\n0.569357 0.959353 0.415265 O\n0.902403 0.625764 0.748864 O\n0.683341 0.789520 0.083326 O\n0.016535 0.455949 0.416263 O\n0.350201 0.121389 0.749427 O\n0.386424 0.748867 0.000399 O\n0.720878 0.415782 0.333398 O\n0.052590 0.082392 0.666968 O\n0.612455 0.249050 0.999935 O\n0.946909 0.915135 0.332934 O\n0.280744 0.582091 0.666366 O\n",
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"volume": 1519.5809417443263,
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"formula_full": "Na6 Mg4 Mn8 Be12 Si18 Sn6 O78",
"formula_reduced": "Na3Mg2Mn4Be6Si9(SnO13)3",
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"spacegroup": 5
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{
"id": "mp-1221902",
"created_at": "2022-09-04T14:47:06.139497Z",
"structure_string": "Nd2 Zn6 As6\n1.0\n-2.095223 -3.640643 0.000000\n-4.206765 0.007935 0.000000\n0.000000 0.000000 -20.632382\nNd Zn As\n2 6 6\ndirect\n0.997498 0.000548 0.500053 Nd\n0.997498 0.000548 0.999947 Nd\n0.332398 0.334881 0.128255 Zn\n0.666963 0.667067 0.871651 Zn\n0.666963 0.667067 0.628349 Zn\n0.332398 0.334881 0.371745 Zn\n0.270992 0.361713 0.750000 Zn\n0.638073 0.636856 0.250000 Zn\n0.332724 0.333954 0.586213 As\n0.665050 0.668015 0.413919 As\n0.665050 0.668015 0.086081 As\n0.332724 0.333954 0.913787 As\n0.601060 0.699091 0.750000 As\n0.301409 0.298508 0.250000 As\n",
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{
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{
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{
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"structure_string": "Pr4 Si10 Pt6\n1.0\n-3.069910 5.026971 5.853884\n3.069910 -5.026971 5.853884\n3.069910 5.026971 -5.853884\nPr Si Pt\n4 10 6\ndirect\n0.861182 0.627717 0.233465 Pr\n0.138818 0.372283 0.766535 Pr\n0.394252 0.127717 0.266535 Pr\n0.605748 0.872283 0.733465 Pr\n0.500000 0.750000 0.250000 Si\n0.500000 0.250000 0.750000 Si\n0.229058 0.979058 0.750000 Si\n0.770942 0.520942 0.750000 Si\n0.770942 0.020942 0.250000 Si\n0.229058 0.479058 0.250000 Si\n0.034761 0.885524 0.149237 Si\n0.965239 0.114476 0.850763 Si\n0.736287 0.385524 0.350763 Si\n0.263713 0.614476 0.649237 Si\n0.000000 0.750000 0.750000 Pt\n0.000000 0.250000 0.250000 Pt\n0.253988 0.863564 0.390425 Pt\n0.746012 0.136436 0.609575 Pt\n0.473139 0.363564 0.109575 Pt\n0.526861 0.636436 0.890425 Pt\n",
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