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sanhuang6新蟲(chóng) (初入文壇)
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[求助]
單斜相CsPbBr3的cif文件 已有1人參與
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| 有沒(méi)有哪位大神有單斜相CsPbBr3晶體結(jié)構(gòu)對(duì)應(yīng)的cif文件?如果有請(qǐng)發(fā)我郵箱k670169max216@163.com@jackdeng |
木蟲(chóng) (正式寫(xiě)手)
newbie
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# generated using pymatgen data_CsPbBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01733400 _cell_length_b 6.01733400 _cell_length_c 6.01733400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsPbBr3 _chemical_formula_sum 'Cs1 Pb1 Br3' _cell_volume 217.87748562 _cell_formula_units_Z 1 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 Cs Cs0 1 0.50000000 0.50000000 0.50000000 1 Pb Pb1 1 0.00000000 0.00000000 0.00000000 1 Br Br2 1 0.00000000 0.00000000 0.50000000 1 Br Br3 1 0.00000000 0.50000000 0.00000000 1 Br Br4 1 0.50000000 0.00000000 0.00000000 1 |
新蟲(chóng) (初入文壇)
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