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C\n0.482559 0.847004 0.122175 C\n0.982559 0.652996 0.877825 C\n0.517441 0.347004 0.377825 C\n0.017441 0.152996 0.622175 C\n0.673808 0.855370 0.128627 C\n0.173808 0.644630 0.871373 C\n0.326192 0.355370 0.371373 C\n0.826192 0.144630 0.628627 C\n0.923014 0.178706 0.403701 N\n0.423014 0.321294 0.596299 N\n0.076986 0.678706 0.096299 N\n0.576986 0.821294 0.903701 N\n0.218062 0.271133 0.135033 N\n0.718062 0.228867 0.864967 N\n0.781938 0.771133 0.364967 N\n0.281938 0.728867 0.635033 N\n0.373460 0.061250 0.466205 N\n0.873460 0.438750 0.533795 N\n0.626540 0.561250 0.033795 N\n0.126540 0.938750 0.966205 N\n0.571026 0.963693 0.350218 O\n0.071026 0.536307 0.649782 O\n0.428974 0.463693 0.149782 O\n0.928974 0.036307 0.850218 O\n0.738099 0.165222 0.252331 O\n0.238099 0.334778 0.747669 O\n0.261901 0.665222 0.247669 O\n0.761901 0.834778 0.752331 O\n0.566028 0.124825 0.112663 O\n0.066028 0.375175 0.887337 O\n0.433972 0.624825 0.387337 O\n0.933972 0.875175 0.612663 O\n0.885544 0.303291 0.188152 O\n0.385544 0.196709 0.811848 O\n0.114456 0.803291 0.311848 O\n0.614456 0.696709 0.688152 O\n0.710038 0.263970 0.044924 O\n0.210038 0.236030 0.955076 O\n0.289962 0.763970 0.455076 O\n0.789962 0.736030 0.544924 O\n0.348170 0.141990 0.260386 O\n0.848170 0.358010 0.739614 O\n0.651830 0.641990 0.239614 O\n0.151830 0.858010 0.760386 O\n0.399931 0.914771 0.172043 O\n0.899931 0.585229 0.827957 O\n0.600069 0.414771 0.327957 O\n0.100069 0.085229 0.672043 O\n0.731078 0.928358 0.182505 O\n0.231078 0.571642 0.817495 O\n0.268922 0.428358 0.317495 O\n0.768922 0.071642 0.682505 O\n0.420925 0.779929 0.071608 O\n0.920925 0.720071 0.928392 O\n0.579075 0.279929 0.428392 O\n0.079075 0.220071 0.571608 O\n0.759124 0.794140 0.081873 O\n0.259124 0.705860 0.918127 O\n0.240876 0.294140 0.418127 O\n0.740876 0.205860 0.581873 O\n0.451398 0.042916 0.957542 O\n0.951398 0.457084 0.042458 O\n0.548602 0.542916 0.542458 O\n0.048602 0.957084 0.457542 O\n0.060651 0.990013 0.136506 O\n0.560651 0.509987 0.863494 O\n0.939349 0.490013 0.363494 O\n0.439349 0.009987 0.636506 O\n","nsites":144,"nelements":5,"elements":["Sn","H","C","N","O"],"chemical_system":"C-H-N-O-Sn","density":1.8359915553278563,"density_atomic":0.09547721676092456,"volume":1508.213214473739,"volume_molar":6.307411301147865,"formula_full":"Sn4 H64 C16 N12 O48","formula_reduced":"SnH16C4(NO4)3","formula_anonymous":"AB3C4D12E16","energy":-876.01330151,"energy_per_atom":-6.083425704930556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-838.70530151,"band_gap":0.2623999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9390624,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.737000Z","spacegroup":19},{"id":"mp-985637","created_at":"2022-09-04T14:41:37.222377Z","structure_string":"Li8 Si16 O28\n1.0\n-5.092556 5.092556 6.382436\n5.092556 -5.092556 6.382436\n5.092556 5.092556 -6.382436\nLi Si O\n8 16 28\ndirect\n0.517459 0.329379 0.492489 Li\n0.774970 0.767459 0.688079 Li\n0.079379 0.086890 0.311921 Li\n0.836890 0.024970 0.507511 Li\n0.336890 0.829379 0.811921 Li\n0.017459 0.524970 0.188079 Li\n0.274970 0.586890 0.007511 Li\n0.579379 0.267459 0.992489 Li\n0.384482 0.397394 0.779375 Si\n0.355107 0.634482 0.487089 Si\n0.147394 0.868018 0.512911 Si\n0.618018 0.605107 0.220625 Si\n0.118018 0.897394 0.012911 Si\n0.884482 0.105107 0.987089 Si\n0.855107 0.368018 0.720625 Si\n0.647394 0.134482 0.279375 Si\n0.036222 0.355302 0.556629 Si\n0.229594 0.286222 0.180920 Si\n0.105302 0.048673 0.819080 Si\n0.798673 0.479594 0.443371 Si\n0.298673 0.855302 0.319080 Si\n0.536222 0.979594 0.680920 Si\n0.729594 0.548673 0.943371 Si\n0.605302 0.786222 0.056629 Si\n0.204704 0.331896 0.564594 O\n0.390110 0.454704 0.372808 O\n0.081896 0.017303 0.627192 O\n0.767303 0.640110 0.435406 O\n0.267303 0.831896 0.127192 O\n0.704704 0.140110 0.872808 O\n0.890110 0.517303 0.935406 O\n0.581896 0.954704 0.064594 O\n0.547280 0.419072 0.738521 O\n0.558759 0.797280 0.628207 O\n0.169072 0.930551 0.371793 O\n0.680551 0.808759 0.261479 O\n0.180551 0.919072 0.871793 O\n0.047280 0.308759 0.128207 O\n0.058759 0.430551 0.761479 O\n0.669072 0.297280 0.238521 O\n0.420204 0.623301 0.897416 O\n0.272788 0.670204 0.296903 O\n0.373301 0.975885 0.703097 O\n0.725885 0.522788 0.102584 O\n0.225885 0.123301 0.203097 O\n0.920204 0.022788 0.796903 O\n0.772788 0.475885 0.602584 O\n0.873301 0.170204 0.397416 O\n0.990265 0.490265 0.500000 O\n0.240265 0.240265 0.000000 O\n0.490265 0.990265 0.500000 O\n0.740265 0.740265 0.000000 O\n","nsites":52,"nelements":3,"elements":["Li","Si","O"],"chemical_system":"Li-O-Si","density":2.389840175548174,"density_atomic":0.07853898003791496,"volume":662.0916132969492,"volume_molar":7.667709406326376,"formula_full":"Li8 Si16 O28","formula_reduced":"Li2Si4O7","formula_anonymous":"A2B4C7","energy":-373.10173844,"energy_per_atom":-7.175033431538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-353.86573844,"band_gap":2.708600000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.184000Z","spacegroup":110},{"id":"mp-985626","created_at":"2022-09-04T14:43:17.162366Z","structure_string":"Na3 Mn2 Sb1 O6\n1.0\n-2.784527 -4.809629 0.004464\n-1.873316 0.000012 5.475230\n-2.784594 4.809668 0.004463\nNa Mn Sb O\n3 2 1 6\ndirect\n0.500009 0.500000 0.500000 Na\n0.828646 0.500004 0.171352 Na\n0.171356 0.499998 0.828651 Na\n0.333750 0.999979 0.666240 Mn\n0.666238 0.000014 0.333778 Mn\n0.000006 0.000006 0.000005 Sb\n0.235786 0.205527 0.235765 O\n0.764227 0.794471 0.764202 O\n0.375412 0.790795 0.069192 O\n0.069160 0.790786 0.375390 O\n0.930806 0.209212 0.624586 O\n0.624603 0.209208 0.930838 O\n","nsites":12,"nelements":4,"elements":["Na","Mn","Sb","O"],"chemical_system":"Mn-Na-O-Sb","density":4.493033589509303,"density_atomic":0.08186855694194138,"volume":146.57642015737525,"volume_molar":7.355865285705126,"formula_full":"Na3 Mn2 Sb1 O6","formula_reduced":"Na3Mn2SbO6","formula_anonymous":"AB2C3D6","energy":-80.5443159,"energy_per_atom":-6.712026325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.0863159,"band_gap":0.8500000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.382000Z","spacegroup":12}]}