KMo
Alexandria ALEXAlex-ID: agm005447614 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_1602_spg8
Mo K
2023-03-21 09:18:09.229369
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005447614).
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 agm005447614
data_agm005447614
_cell_length_a 14.90468
_cell_length_b 14.90468
_cell_length_c 4.39467
_cell_angle_alpha 90.00705
_cell_angle_beta 90.00705
_cell_angle_gamma 12.76294
_cell_volume 215.67586
_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
K1 K 0.96862 0.96862 0.00005 1.00000
K2 K 0.72930 0.72930 0.99945 1.00000
K3 K 0.59918 0.59918 0.50239 1.00000
Mo1 Mo 0.35504 0.35504 0.99936 1.00000
Mo2 Mo 0.87125 0.87125 0.49942 1.00000
Mo3 Mo 0.30994 0.30994 0.49933 1.00000
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