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C\n0.628066 0.644201 0.917153 C\n0.871934 0.355799 0.417153 C\n0.733953 0.056143 0.013232 C\n0.766047 0.943857 0.513232 C\n0.233953 0.443857 0.986768 C\n0.266047 0.556143 0.486768 C\n0.266047 0.943857 0.986768 C\n0.233953 0.056143 0.486768 C\n0.766047 0.556143 0.013232 C\n0.733953 0.443857 0.513232 C\n0.949527 0.128358 0.166918 N\n0.550473 0.871642 0.666918 N\n0.449527 0.371642 0.833082 N\n0.050473 0.628358 0.333082 N\n0.050473 0.871642 0.833082 N\n0.449527 0.128358 0.333082 N\n0.550473 0.628358 0.166918 N\n0.949527 0.371642 0.666918 N\n0.838627 0.253825 0.110998 N\n0.661373 0.746175 0.610998 N\n0.338627 0.246175 0.889002 N\n0.161373 0.753825 0.389002 N\n0.161373 0.746175 0.889002 N\n0.338627 0.253825 0.389002 N\n0.661373 0.753825 0.110998 N\n0.838627 0.246175 0.610998 N\n0.818772 0.120907 0.012992 N\n0.681228 0.879093 0.512992 N\n0.318772 0.379093 0.987008 N\n0.181228 0.620907 0.487008 N\n0.181228 0.879093 0.987008 N\n0.318772 0.120907 0.487008 N\n0.681228 0.620907 0.012992 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O\n0.852112 0.106072 0.836073 O\n0.647888 0.893928 0.336073 O\n0.352112 0.393928 0.163927 O\n0.147888 0.606072 0.663927 O\n0.147888 0.893928 0.163927 O\n0.352112 0.106072 0.663927 O\n0.647888 0.606072 0.836073 O\n0.852112 0.393928 0.336073 O\n0.685324 0.029980 0.092657 O\n0.814676 0.970020 0.592657 O\n0.185324 0.470020 0.907343 O\n0.314676 0.529980 0.407343 O\n0.314676 0.970020 0.907343 O\n0.185324 0.029980 0.407343 O\n0.814676 0.529980 0.092657 O\n0.685324 0.470020 0.592657 O\n","nsites":184,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.3461266147594797,"density_atomic":0.08136741362522112,"volume":2261.3475321644764,"volume_molar":7.401170188028861,"formula_full":"H56 C56 N24 O48","formula_reduced":"H7C7(NO2)3","formula_anonymous":"A3B6C7D7","energy":-1270.27304397,"energy_per_atom":-6.903657847663043,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1228.63304397,"band_gap":3.637,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.1727477,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.031000Z","spacegroup":61},{"id":"mp-769518","created_at":"2022-09-04T14:40:30.551686Z","structure_string":"Na6 Mn4 P4 C4 O28\n1.0\n5.226521 0.000000 0.000000\n-0.295830 9.027851 0.000000\n-0.058401 -0.244956 13.165500\nNa Mn P C O\n6 4 4 4 28\ndirect\n0.244246 0.764211 0.001864 Na\n0.247224 0.764178 0.755810 Na\n0.241478 0.755091 0.481624 Na\n0.758522 0.244909 0.518376 Na\n0.752776 0.235822 0.244190 Na\n0.755754 0.235789 0.998136 Na\n0.784258 0.650744 0.625427 Mn\n0.784787 0.653518 0.130722 Mn\n0.215213 0.346482 0.869278 Mn\n0.215742 0.349256 0.374573 Mn\n0.719417 0.572822 0.877944 P\n0.715956 0.572668 0.374134 P\n0.284044 0.427332 0.625866 P\n0.280583 0.427178 0.122056 P\n0.729476 0.919326 0.625785 C\n0.731523 0.920841 0.125160 C\n0.270524 0.080674 0.374215 C\n0.268477 0.079159 0.874840 C\n0.297569 0.943207 0.880156 O\n0.298526 0.946560 0.376426 O\n0.952712 0.853542 0.628204 O\n0.953960 0.857822 0.127648 O\n0.541463 0.821718 0.128555 O\n0.537315 0.818195 0.625372 O\n0.779181 0.672625 0.973225 O\n0.787309 0.668458 0.785832 O\n0.791491 0.671912 0.466495 O\n0.781773 0.665851 0.280508 O\n0.423458 0.533216 0.876215 O\n0.423495 0.532215 0.379671 O\n0.140127 0.575752 0.625925 O\n0.132297 0.572248 0.119608 O\n0.867703 0.427752 0.880392 O\n0.859873 0.424248 0.374075 O\n0.576505 0.467785 0.620329 O\n0.576542 0.466784 0.123785 O\n0.218227 0.334149 0.719492 O\n0.208509 0.328088 0.533505 O\n0.212691 0.331542 0.214168 O\n0.220819 0.327375 0.026775 O\n0.458537 0.178282 0.871445 O\n0.462685 0.181805 0.374628 O\n0.046040 0.142178 0.872352 O\n0.047288 0.146458 0.371796 O\n0.701474 0.053440 0.623574 O\n0.702431 0.056793 0.119844 O\n","nsites":46,"nelements":5,"elements":["Na","Mn","P","C","O"],"chemical_system":"C-Mn-Na-O-P","density":2.6132509204977756,"density_atomic":0.07404971509032165,"volume":621.2042807172425,"volume_molar":8.132564389551712,"formula_full":"Na6 Mn4 P4 C4 O28","formula_reduced":"Na3Mn2P2(CO7)2","formula_anonymous":"A2B2C2D3E14","energy":-344.90913925,"energy_per_atom":-7.498024766304348,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-319.00113925,"band_gap":0.1291,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9989155,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.864000Z","spacegroup":2}]}