Ca2Ac8Mg
Alexandria ALEXAlex-ID: agm003523948 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_292_spg12
CaAcMg2 Ca Ac
2022-03-15 21:25:23.572910
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523948).
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 agm003523948
data_agm003523948
_cell_length_a 6.96529
_cell_length_b 9.65752
_cell_length_c 9.65752
_cell_angle_alpha 52.65861
_cell_angle_beta 74.97808
_cell_angle_gamma 74.97808
_cell_volume 494.41593
_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
Ca1 Ca 0.54042 0.11374 0.11374 1.00000
Ca2 Ca 0.45958 0.88626 0.88626 1.00000
Ac1 Ac 0.78139 0.23251 0.63902 1.00000
Ac2 Ac 0.21861 0.36098 0.76749 1.00000
Ac3 Ac 0.93641 0.22306 0.22306 1.00000
Ac4 Ac 0.06359 0.77694 0.77694 1.00000
Ac5 Ac 0.78139 0.63902 0.23251 1.00000
Ac6 Ac 0.21861 0.76749 0.36098 1.00000
Ac7 Ac 0.33026 0.34844 0.34844 1.00000
Ac8 Ac 0.66974 0.65156 0.65156 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
获取直接链接