Ce4Mg3Cu10
Alexandria ALEXAlex-ID: agm008337229 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C10_8_spg64
CeMgCu4 Mg2Cu CeCu
2025-03-29 14:39:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008337229).
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 agm008337229
data_agm008337229
_cell_length_a 8.20760
_cell_length_b 8.20760
_cell_length_c 9.56443
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 108.96526
_cell_volume 609.32977
_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
Ce1 Ce 0.29845 0.70155 0.50000 1.00000
Ce2 Ce 0.70155 0.29845 0.50000 1.00000
Ce3 Ce 0.20155 0.79845 0.00000 1.00000
Ce4 Ce 0.79845 0.20155 0.00000 1.00000
Ce5 Ce 0.30104 0.30104 0.70376 1.00000
Ce6 Ce 0.69896 0.69896 0.29624 1.00000
Ce7 Ce 0.19896 0.19896 0.20376 1.00000
Ce8 Ce 0.80104 0.80104 0.79624 1.00000
Mg1 Mg 0.51308 0.01308 0.75000 1.00000
Mg2 Mg 0.48692 0.98692 0.25000 1.00000
Mg3 Mg 0.98692 0.48692 0.25000 1.00000
Mg4 Mg 0.01308 0.51308 0.75000 1.00000
Mg5 Mg 0.00000 0.00000 0.50000 1.00000
Mg6 Mg 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.09768 0.09768 0.90632 1.00000
Cu2 Cu 0.90232 0.90232 0.09368 1.00000
Cu3 Cu 0.40232 0.40232 0.40632 1.00000
Cu4 Cu 0.59768 0.59768 0.59368 1.00000
Cu5 Cu 0.16494 0.89044 0.70290 1.00000
Cu6 Cu 0.83506 0.10956 0.29710 1.00000
Cu7 Cu 0.33506 0.60956 0.20290 1.00000
Cu8 Cu 0.39044 0.66494 0.79710 1.00000
Cu9 Cu 0.66494 0.39044 0.79710 1.00000
Cu10 Cu 0.60956 0.33506 0.20290 1.00000
Cu11 Cu 0.10956 0.83506 0.29710 1.00000
Cu12 Cu 0.89044 0.16494 0.70290 1.00000
Cu13 Cu 0.66132 0.93317 0.52011 1.00000
Cu14 Cu 0.33868 0.06683 0.47989 1.00000
Cu15 Cu 0.83868 0.56683 0.02011 1.00000
Cu16 Cu 0.43317 0.16132 0.97989 1.00000
Cu17 Cu 0.16132 0.43317 0.97989 1.00000
Cu18 Cu 0.56683 0.83868 0.02011 1.00000
Cu19 Cu 0.06683 0.33868 0.47989 1.00000
Cu20 Cu 0.93317 0.66132 0.52011 1.00000
