Ac6La12Mg
Alexandria ALEXAlex-ID: agm006124247 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C12_25_spg166
AcLa11 LaMg Ac
2023-09-04 00:56:20.211186
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124247).
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 agm006124247
data_agm006124247
_cell_length_a 9.26380
_cell_length_b 9.26380
_cell_length_c 9.26380
_cell_angle_alpha 99.09694
_cell_angle_beta 99.09692
_cell_angle_gamma 99.09693
_cell_volume 761.33594
_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
Ac1 Ac 0.14089 0.14023 0.41316 1.00000
Ac2 Ac 0.85977 0.58684 0.85911 1.00000
Ac3 Ac 0.58684 0.85911 0.85977 1.00000
Ac4 Ac 0.85911 0.85977 0.58684 1.00000
Ac5 Ac 0.14023 0.41316 0.14089 1.00000
Ac6 Ac 0.41316 0.14089 0.14023 1.00000
La1 La 0.58693 0.16593 0.58705 1.00000
La2 La 0.16593 0.58705 0.58693 1.00000
La3 La 0.58705 0.58693 0.16593 1.00000
La4 La 0.41307 0.83407 0.41295 1.00000
La5 La 0.83407 0.41295 0.41307 1.00000
La6 La 0.41295 0.41307 0.83407 1.00000
La7 La 0.25933 0.99952 0.74058 1.00000
La8 La 0.25942 0.74067 0.00048 1.00000
La9 La 0.00048 0.25942 0.74067 1.00000
La10 La 0.74067 0.00048 0.25942 1.00000
La11 La 0.74058 0.25933 0.99952 1.00000
La12 La 0.99952 0.74058 0.25933 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
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