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{
"id": "mp-977414",
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{
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{
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"created_at": "2022-09-04T14:39:09.371765Z",
"structure_string": "Ca2 As4 Xe8 F40\n1.0\n15.643534 0.000000 0.000000\n0.000000 8.558441 0.000000\n0.000000 3.263873 8.209656\nCa As Xe F\n2 4 8 40\ndirect\n0.159782 0.635043 0.408022 Ca\n0.659782 0.364957 0.591978 Ca\n0.491352 0.198388 0.325735 As\n0.730411 0.716280 0.156065 As\n0.991352 0.801612 0.674265 As\n0.230411 0.283720 0.843935 As\n0.987446 0.968783 0.085888 Xe\n0.752304 0.242333 0.091562 Xe\n0.706328 0.840049 0.632501 Xe\n0.487446 0.031217 0.914112 Xe\n0.935760 0.358846 0.527030 Xe\n0.206328 0.159951 0.367499 Xe\n0.252304 0.757667 0.908438 Xe\n0.435760 0.641154 0.472970 Xe\n0.077151 0.937606 0.673399 F\n0.744002 0.904230 0.984552 F\n0.677380 0.077111 0.635876 F\n0.230758 0.399404 0.363010 F\n0.291366 0.200689 0.721958 F\n0.323896 0.371763 0.890894 F\n0.561693 0.591465 0.558339 F\n0.061693 0.408535 0.441661 F\n0.686546 0.282787 0.871725 F\n0.716915 0.521843 0.333883 F\n0.791366 0.799311 0.278042 F\n0.668976 0.627961 0.039876 F\n0.177380 0.922889 0.364124 F\n0.577151 0.062394 0.326601 F\n0.823896 0.628237 0.109106 F\n0.812487 0.302722 0.615941 F\n0.136400 0.205673 0.786641 F\n0.970770 0.928877 0.468210 F\n0.636400 0.794327 0.213359 F\n0.016299 0.675181 0.876685 F\n0.470770 0.071123 0.531790 F\n0.065434 0.676462 0.604956 F\n0.730758 0.600596 0.636990 F\n0.516299 0.324819 0.123315 F\n0.418981 0.076704 0.261005 F\n0.244002 0.095770 0.015448 F\n0.408782 0.337040 0.330186 F\n0.313983 0.803634 0.691784 F\n0.441215 0.809898 0.078968 F\n0.186546 0.717213 0.128275 F\n0.312487 0.697278 0.384059 F\n0.216915 0.478157 0.666117 F\n0.031972 0.741319 0.262212 F\n0.531972 0.258681 0.737788 F\n0.941215 0.190102 0.921032 F\n0.168976 0.372039 0.960124 F\n0.813983 0.196366 0.308216 F\n0.918981 0.923296 0.738995 F\n0.908782 0.662960 0.669814 F\n0.565434 0.323538 0.395044 F\n",
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{
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"structure_string": "Yb1 Pr1 Ag2\n1.0\n0.000000 3.728835 3.728835\n3.728835 0.000000 3.728835\n3.728835 3.728835 0.000000\nYb Pr Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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{
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"structure_string": "Pr8 Sb16 Ir12\n1.0\n4.600532 0.000000 0.000000\n0.000000 11.091652 0.000000\n0.000000 0.000000 16.343234\nPr Sb Ir\n8 16 12\ndirect\n0.250000 0.748512 0.506706 Pr\n0.250000 0.751488 0.006706 Pr\n0.750000 0.251488 0.493294 Pr\n0.750000 0.248512 0.993294 Pr\n0.250000 0.589524 0.751337 Pr\n0.250000 0.910476 0.251337 Pr\n0.750000 0.410476 0.248663 Pr\n0.750000 0.089524 0.748663 Pr\n0.250000 0.275573 0.649670 Sb\n0.250000 0.224427 0.149670 Sb\n0.750000 0.724427 0.350330 Sb\n0.750000 0.775573 0.850330 Sb\n0.250000 0.886739 0.710205 Sb\n0.250000 0.613261 0.210205 Sb\n0.750000 0.113261 0.289795 Sb\n0.750000 0.386739 0.789795 Sb\n0.250000 0.062835 0.894551 Sb\n0.250000 0.437165 0.394551 Sb\n0.750000 0.937165 0.105449 Sb\n0.750000 0.562835 0.605449 Sb\n0.250000 0.447642 0.931515 Sb\n0.250000 0.052358 0.431515 Sb\n0.750000 0.552358 0.068485 Sb\n0.750000 0.947642 0.568485 Sb\n0.250000 0.466321 0.556270 Ir\n0.250000 0.033679 0.056270 Ir\n0.750000 0.533679 0.443730 Ir\n0.750000 0.966321 0.943730 Ir\n0.250000 0.056452 0.592155 Ir\n0.250000 0.443548 0.092155 Ir\n0.750000 0.943548 0.407845 Ir\n0.750000 0.556452 0.907845 Ir\n0.250000 0.277424 0.817638 Ir\n0.250000 0.222576 0.317638 Ir\n0.750000 0.722576 0.182362 Ir\n0.750000 0.777424 0.682362 Ir\n",
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{
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