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S\n0.651451 0.095533 0.797141 N\n0.651451 0.404467 0.702859 N\n0.848549 0.904467 0.297141 N\n0.848549 0.595533 0.202859 N\n0.348549 0.904467 0.202859 N\n0.348549 0.595533 0.297141 N\n0.151451 0.095533 0.702859 N\n0.151451 0.404467 0.797141 N\n0.654087 0.901074 0.676927 N\n0.654087 0.598926 0.823073 N\n0.845913 0.098926 0.176927 N\n0.845913 0.401074 0.323073 N\n0.345913 0.098926 0.323073 N\n0.345913 0.401074 0.176927 N\n0.154087 0.901074 0.823073 N\n0.154087 0.598926 0.676927 N\n0.574886 0.531024 0.698824 N\n0.574886 0.968976 0.801176 N\n0.925114 0.468976 0.198824 N\n0.925114 0.031024 0.301176 N\n0.425114 0.468976 0.301176 N\n0.425114 0.031024 0.198824 N\n0.074886 0.531024 0.801176 N\n0.074886 0.968976 0.698824 N\n0.323682 0.578090 0.834348 N\n0.323682 0.921910 0.665652 N\n0.176318 0.421910 0.334348 N\n0.176318 0.078090 0.165652 N\n0.676318 0.421910 0.165652 N\n0.676318 0.078090 0.334348 N\n0.823682 0.578090 0.665652 N\n0.823682 0.921910 0.834348 N\n0.780401 0.332946 0.930245 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O\n","nsites":164,"nelements":6,"elements":["Zn","H","C","S","N","O"],"chemical_system":"C-H-N-O-S-Zn","density":1.39299675182027,"density_atomic":0.06963761155323397,"volume":2355.049180206753,"volume_molar":8.647827841419312,"formula_full":"Zn4 H64 C16 S16 N40 O24","formula_reduced":"ZnH16C4S4(N5O3)2","formula_anonymous":"AB4C4D6E10F16","energy":-936.97206934,"energy_per_atom":-5.7132443252439025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-906.04406934,"band_gap":1.2933,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0000003,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.400000Z","spacegroup":56},{"id":"mp-1180029","created_at":"2022-09-04T14:40:16.429812Z","structure_string":"Pb1 C6 S6 N12 Cl2 O8\n1.0\n11.666306 0.071737 -1.598830\n-4.284055 10.651287 -2.626788\n-0.321493 -0.124696 6.094045\nPb C S N Cl O\n1 6 6 12 2 8\ndirect\n0.000000 0.000000 0.000000 Pb\n0.640191 0.087817 0.047977 C\n0.359809 0.912183 0.952023 C\n0.727815 0.742409 0.595051 C\n0.272185 0.257591 0.404949 C\n0.056056 0.689115 0.814936 C\n0.943944 0.310885 0.185064 C\n0.739942 0.917896 0.032468 S\n0.260058 0.082104 0.967532 S\n0.897494 0.887493 0.464194 S\n0.102506 0.112507 0.535806 S\n0.002540 0.742624 0.018990 S\n0.997460 0.257376 0.981010 S\n0.577558 0.144797 0.096779 N\n0.422442 0.855203 0.903221 N\n0.722330 0.040465 0.002779 N\n0.277670 0.959535 0.997221 N\n0.771278 0.764424 0.424564 N\n0.228722 0.235576 0.575436 N\n0.682580 0.722703 0.749639 N\n0.317420 0.277297 0.250361 N\n0.086818 0.594651 0.690210 N\n0.913182 0.405349 0.309790 N\n0.105454 0.695389 0.625441 N\n0.894546 0.304611 0.374559 N\n0.645818 0.389007 0.766821 Cl\n0.354182 0.610993 0.233179 Cl\n0.582563 0.436065 0.599404 O\n0.417437 0.563935 0.400596 O\n0.605079 0.252336 0.663211 O\n0.394921 0.747664 0.336789 O\n0.781100 0.449357 0.817337 O\n0.218900 0.550643 0.182663 O\n0.607095 0.413366 0.980398 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8\ndirect\n0.290655 0.803794 0.009845 K\n0.675802 0.325075 0.488710 K\n0.764427 0.152229 0.002989 K\n0.283101 0.710813 0.503913 K\n0.795131 0.474172 0.267213 Mg\n0.483349 0.930756 0.750961 Zn\n0.485741 0.418421 0.754285 Zn\n0.519781 0.065416 0.258115 Zn\n0.551083 0.556561 0.308952 Zn\n0.778404 0.267917 0.785351 H\n0.202441 0.780214 0.711151 H\n0.287137 0.733964 0.243653 H\n0.785596 0.222565 0.295923 H\n0.927405 0.323871 0.930660 H\n0.036948 0.854251 0.570579 H\n0.102596 0.653038 0.137683 H\n0.954417 0.159245 0.440584 H\n0.940514 0.154837 0.745326 H\n0.070144 0.655192 0.740030 H\n0.094536 0.855070 0.241531 H\n0.884491 0.345438 0.170776 H\n0.655294 0.136599 0.642017 H\n0.365005 0.655614 0.851831 H\n0.372968 0.880916 0.363494 H\n0.589055 0.348333 0.067521 H\n0.224977 0.386266 0.505866 Br\n0.715162 0.903498 0.991638 Br\n0.695237 0.581067 0.541141 Br\n0.294258 0.098940 0.021055 Br\n0.292305 0.356208 0.826562 Br\n0.719179 0.898046 0.699511 Br\n0.816098 0.629427 0.165429 Br\n0.321858 0.083693 0.334930 Br\n0.276282 0.098083 0.668498 Br\n0.637856 0.584679 0.815063 Br\n0.737485 0.900782 0.332163 Br\n0.148231 0.359213 0.159025 Br\n0.207330 0.825140 0.651799 O\n0.760999 0.306378 0.839753 O\n0.780166 0.183358 0.355446 O\n0.264803 0.682476 0.183726 O\n0.215117 0.698626 0.807647 O\n0.776205 0.190812 0.683663 O\n0.747192 0.346395 0.168388 O\n0.260274 0.823652 0.322750 O\n","nsites":45,"nelements":6,"elements":["K","Mg","Zn","H","Br","O"],"chemical_system":"Br-H-K-Mg-O-Zn","density":2.656530411504891,"density_atomic":0.04658693684057676,"volume":965.9360123631361,"volume_molar":12.926672514675348,"formula_full":"K4 Mg1 Zn4 H16 Br12 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