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{
"id": "mp-1598",
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{
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{
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"structure_string": "Zr8 F32\n1.0\n8.042838 0.000000 0.000000\n0.000000 8.042838 0.000000\n0.000000 0.000000 7.851930\nZr F\n8 32\ndirect\n0.319675 0.182811 0.769856 Zr\n0.680325 0.817189 0.230144 Zr\n0.319675 0.182811 0.230144 Zr\n0.817189 0.319675 0.730144 Zr\n0.680325 0.817189 0.769856 Zr\n0.182811 0.680325 0.730144 Zr\n0.182811 0.680325 0.269856 Zr\n0.817189 0.319675 0.269856 Zr\n0.672743 0.292771 0.500000 F\n0.440489 0.711344 0.805410 F\n0.064356 0.203186 0.213855 F\n0.559511 0.288656 0.194590 F\n0.796814 0.064356 0.286145 F\n0.288656 0.440489 0.694590 F\n0.500000 0.000000 0.703384 F\n0.203186 0.935644 0.713855 F\n0.665303 0.960344 0.000000 F\n0.064356 0.203186 0.786145 F\n0.000000 0.500000 0.796616 F\n0.935644 0.796814 0.786145 F\n0.203186 0.935644 0.286145 F\n0.000000 0.500000 0.203384 F\n0.334697 0.039656 0.000000 F\n0.711344 0.559511 0.694590 F\n0.796814 0.064356 0.713855 F\n0.559511 0.288656 0.805410 F\n0.181875 0.694074 0.000000 F\n0.960344 0.334697 0.500000 F\n0.707229 0.672743 0.000000 F\n0.039656 0.665303 0.500000 F\n0.305926 0.181875 0.500000 F\n0.935644 0.796814 0.213855 F\n0.818125 0.305926 0.000000 F\n0.288656 0.440489 0.305410 F\n0.292771 0.327257 0.000000 F\n0.500000 0.000000 0.296616 F\n0.711344 0.559511 0.305410 F\n0.694074 0.818125 0.500000 F\n0.440489 0.711344 0.194590 F\n0.327257 0.707229 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:44:18.289444Z",
"structure_string": "Bi8 I2 Br6\n1.0\n2.165771 -7.207230 0.000000\n2.165771 7.207230 0.000000\n0.000000 0.000000 20.633498\nBi I Br\n8 2 6\ndirect\n0.255030 0.744970 0.864504 Bi\n0.744970 0.255030 0.364504 Bi\n0.056292 0.943708 0.503802 Bi\n0.943708 0.056292 0.003802 Bi\n0.294780 0.705220 0.011093 Bi\n0.705220 0.294780 0.511093 Bi\n0.016174 0.983826 0.650996 Bi\n0.983826 0.016174 0.150996 Bi\n0.340882 0.659118 0.195670 I\n0.659118 0.340882 0.695670 I\n0.381314 0.618686 0.624617 Br\n0.618686 0.381314 0.124617 Br\n0.117094 0.882906 0.325925 Br\n0.882906 0.117094 0.825925 Br\n0.375863 0.624137 0.398292 Br\n0.624137 0.375863 0.898292 Br\n",
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{
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"structure_string": "Zn18 S18\n1.0\n-1.936963 -3.354918 -0.000000\n1.936963 -3.354918 -0.000000\n-0.000000 -2.236612 56.345446\nZn S\n18 18\ndirect\n0.999996 0.999996 0.000012 Zn\n0.944437 0.944437 0.166690 Zn\n0.870371 0.870371 0.388886 Zn\n0.814809 0.814809 0.555572 Zn\n0.759257 0.759257 0.722228 Zn\n0.722212 0.722212 0.833364 Zn\n0.648151 0.648151 0.055546 Zn\n0.592586 0.592586 0.222242 Zn\n0.555553 0.555553 0.333340 Zn\n0.499998 0.499998 0.500005 Zn\n0.462953 0.462953 0.611142 Zn\n0.407406 0.407406 0.777782 Zn\n0.351852 0.351852 0.944443 Zn\n0.296297 0.296297 0.111108 Zn\n0.240738 0.240738 0.277785 Zn\n0.185185 0.185185 0.444445 Zn\n0.111107 0.111107 0.666679 Zn\n0.037039 0.037039 0.888884 Zn\n0.986117 0.986117 0.041648 S\n0.930567 0.930567 0.208299 S\n0.856493 0.856493 0.430521 S\n0.800920 0.800920 0.597241 S\n0.745400 0.745400 0.763800 S\n0.708345 0.708345 0.874964 S\n0.634271 0.634271 0.097188 S\n0.578730 0.578730 0.263811 S\n0.541677 0.541677 0.374969 S\n0.486139 0.486139 0.541582 S\n0.449081 0.449081 0.652757 S\n0.393519 0.393519 0.819443 S\n0.337958 0.337958 0.986125 S\n0.282421 0.282421 0.152736 S\n0.226848 0.226848 0.319456 S\n0.171315 0.171315 0.486056 S\n0.097234 0.097234 0.708298 S\n0.023176 0.023176 0.930473 S\n",
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{
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"structure_string": "K8 U8 Mo4 O40\n1.0\n15.586847 0.000000 0.000000\n0.000000 8.396811 0.000000\n0.000000 2.127772 8.163993\nK U Mo O\n8 8 4 40\ndirect\n0.263870 0.175133 0.574658 K\n0.541960 0.555426 0.226328 K\n0.958040 0.555426 0.726328 K\n0.236130 0.175133 0.074658 K\n0.458040 0.444574 0.773672 K\n0.763870 0.824867 0.925342 K\n0.041960 0.444574 0.273672 K\n0.736130 0.824867 0.425342 K\n0.928790 0.116192 0.605852 U\n0.428790 0.883808 0.894148 U\n0.425831 0.866059 0.417293 U\n0.074169 0.866059 0.917293 U\n0.071210 0.883808 0.394148 U\n0.571210 0.116192 0.105852 U\n0.574169 0.133941 0.582707 U\n0.925831 0.133941 0.082707 U\n0.763273 0.378240 0.290165 Mo\n0.736727 0.378240 0.790165 Mo\n0.263273 0.621760 0.209835 Mo\n0.236727 0.621760 0.709835 Mo\n0.956667 0.026820 0.868299 O\n0.331828 0.752852 0.679395 O\n0.043333 0.973180 0.131701 O\n0.465789 0.901929 0.145175 O\n0.492617 0.284550 0.093631 O\n0.665769 0.335664 0.964795 O\n0.499410 0.690444 0.490047 O\n0.655845 0.959524 0.120252 O\n0.346276 0.030925 0.345728 O\n0.671061 0.344381 0.625779 O\n0.999410 0.309556 0.009953 O\n0.168172 0.752852 0.179395 O\n0.729189 0.586065 0.241441 O\n0.007383 0.284550 0.593631 O\n0.165769 0.664336 0.535205 O\n0.153724 0.030925 0.845728 O\n0.500590 0.309556 0.509953 O\n0.834231 0.335664 0.464795 O\n0.543333 0.026820 0.368299 O\n0.270811 0.413935 0.758559 O\n0.507383 0.715450 0.906369 O\n0.846276 0.969075 0.154272 O\n0.334231 0.664336 0.035205 O\n0.155845 0.040476 0.379748 O\n0.668172 0.247148 0.320605 O\n0.456667 0.973180 0.631701 O\n0.229189 0.413935 0.258559 O\n0.844155 0.959524 0.620252 O\n0.034211 0.901929 0.645175 O\n0.328939 0.655619 0.374221 O\n0.992617 0.715450 0.406369 O\n0.965789 0.098071 0.354825 O\n0.653724 0.969075 0.654272 O\n0.171061 0.655619 0.874221 O\n0.534211 0.098071 0.854825 O\n0.831828 0.247148 0.820605 O\n0.770811 0.586065 0.741441 O\n0.000590 0.690444 0.990047 O\n0.344155 0.040476 0.879748 O\n0.828939 0.344381 0.125779 O\n",
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{
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],
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"formula_full": "Rb8 Tb40 C16 Br76",
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},
{
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"structure_string": "Sc3 Sb2\n1.0\n12.840597 0.000000 0.000000\n0.000000 12.840597 -0.000000\n0.000000 -0.000000 41.961660\nSc Sb\n3 2\ndirect\n0.500000 0.500000 -0.000000 Sc\n0.500000 0.500000 0.657530 Sc\n0.500000 0.500000 0.342470 Sc\n0.500000 0.500000 0.282933 Sb\n0.500000 0.500000 0.717067 Sb\n",
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},
{
"id": "mp-1103744",
"created_at": "2022-09-04T14:44:15.631082Z",
"structure_string": "Cs2 Y2 Zn2 Te6\n1.0\n2.229919 -8.577246 0.000000\n2.229919 8.577246 0.000000\n0.000000 0.000000 11.794064\nCs Y Zn Te\n2 2 2 6\ndirect\n0.254998 0.745002 0.250000 Cs\n0.745002 0.254998 0.750000 Cs\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.539839 0.460161 0.250000 Zn\n0.460161 0.539839 0.750000 Zn\n0.620886 0.379114 0.442627 Te\n0.379114 0.620886 0.557373 Te\n0.620886 0.379114 0.057373 Te\n0.379114 0.620886 0.942627 Te\n0.942153 0.057847 0.250000 Te\n0.057847 0.942153 0.750000 Te\n",
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"formula_full": "Cs2 Y2 Zn2 Te6",
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{
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"structure_string": "K2 Na1 Tl1 Br6\n1.0\n0.000000 5.670008 5.670008\n5.670008 0.000000 5.670008\n5.670008 5.670008 0.000000\nK Na Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.755438 0.244562 0.244562 Br\n0.244562 0.244562 0.755438 Br\n0.244562 0.755438 0.755438 Br\n0.244562 0.755438 0.244562 Br\n0.755438 0.244562 0.755438 Br\n0.755438 0.755438 0.244562 Br\n",
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],
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{
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"formula_full": "Ba24 In8 S38",
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{
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"structure_string": "Cd1 Pd1 F6\n1.0\n5.102626 -2.632448 0.000000\n5.102626 2.632448 0.000000\n3.744544 0.000000 4.352582\nCd Pd F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n0.073903 0.381497 0.778166 F\n0.778166 0.073903 0.381497 F\n0.618503 0.221834 0.926097 F\n0.221834 0.926097 0.618503 F\n0.926097 0.618503 0.221834 F\n0.381497 0.778166 0.073903 F\n",
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"volume": 116.93122409474762,
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"formula_full": "Cd1 Pd1 F6",
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]
}