Mo12P
Alexandria ALEXAlex-ID: agm005240441 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB12_19_spg146
Mo3P Mo
2023-05-10 23:08:09.718924
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240441).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005240441
data_agm005240441
_cell_length_a 7.47857
_cell_length_b 7.47857
_cell_length_c 7.47857
_cell_angle_alpha 93.39754
_cell_angle_beta 93.39754
_cell_angle_gamma 93.39754
_cell_volume 415.97157
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo1 Mo 0.59063 0.47105 0.27330 1.00000
Mo2 Mo 0.47105 0.27330 0.59063 1.00000
Mo3 Mo 0.27330 0.59063 0.47105 1.00000
Mo4 Mo 0.91500 0.24476 0.02390 1.00000
Mo5 Mo 0.24476 0.02390 0.91500 1.00000
Mo6 Mo 0.02390 0.91500 0.24476 1.00000
Mo7 Mo 0.76303 0.18347 0.37705 1.00000
Mo8 Mo 0.18347 0.37705 0.76303 1.00000
Mo9 Mo 0.37705 0.76303 0.18347 1.00000
Mo10 Mo 0.64202 0.96952 0.71727 1.00000
Mo11 Mo 0.96952 0.71727 0.64202 1.00000
Mo12 Mo 0.71727 0.64202 0.96952 1.00000
Mo13 Mo 0.99936 0.06629 0.63985 1.00000
Mo14 Mo 0.06629 0.63985 0.99936 1.00000
Mo15 Mo 0.63985 0.99936 0.06629 1.00000
Mo16 Mo 0.31115 0.92913 0.53969 1.00000
Mo17 Mo 0.92913 0.53969 0.31115 1.00000
Mo18 Mo 0.53969 0.31115 0.92913 1.00000
Mo19 Mo 0.38127 0.69155 0.82597 1.00000
Mo20 Mo 0.69155 0.82597 0.38127 1.00000
Mo21 Mo 0.82597 0.38127 0.69155 1.00000
Mo22 Mo 0.25154 0.39566 0.11797 1.00000
Mo23 Mo 0.39566 0.11797 0.25154 1.00000
Mo24 Mo 0.11797 0.25154 0.39566 1.00000
P1 P 0.92189 0.92189 0.92189 1.00000
P2 P 0.61737 0.61737 0.61737 1.00000
