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P 1.0 3.3099999428 0.0000000000 0.0000000000 0.0000000000 4.3800001144 0.0000000000 0.0000000000 0.0000000000 10.5000000000 P 8 Direct 0.000000000 0.090000004 0.097999997 0.000000000 0.909999967 0.902000010 0.000000000 0.590000033 0.402000010 0.000000000 0.409999996 0.597999990 0.500000000 0.090000004 0.597999990 0.500000000 0.909999967 0.402000010 0.500000000 0.590000033 0.902000010 0.500000000 0.409999996 0.097999997 |

2Â¥2021-05-28 14:26:20
wangyikeco
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# generated using pymatgen data_P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30611000 _cell_length_b 11.22110200 _cell_length_c 4.55241800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P _chemical_formula_sum P8 _cell_volume 168.88650222 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.59449400 0.91348300 1 P P1 1 0.50000000 0.90550600 0.08651700 1 P P2 1 0.00000000 0.90550600 0.41348300 1 P P3 1 0.50000000 0.59449400 0.58651700 1 P P4 1 0.50000000 0.09449400 0.91348300 1 P P5 1 0.00000000 0.40550600 0.08651700 1 P P6 1 0.50000000 0.40550600 0.41348300 1 P P7 1 0.00000000 0.09449400 0.58651700 1 |
3Â¥2021-05-29 00:10:10













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