Ce3Cd7Au4
Alexandria ALEXAlex-ID: agm005697770 · 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
A3B4C7_31_spg12
CeCdAu2 CeCdAu CeCd11
2023-06-29 17:36:23.277359
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697770).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005697770
data_agm005697770
_cell_length_a 4.61688
_cell_length_b 8.70807
_cell_length_c 9.23613
_cell_angle_alpha 69.58128
_cell_angle_beta 75.52629
_cell_angle_gamma 74.62760
_cell_volume 330.41561
_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 0.29795 0.19456 0.20954 1.00000
Ce2 Ce 0.70205 0.80544 0.79046 1.00000
Ce3 Ce 0.00000 0.50000 0.50000 1.00000
Cd1 Cd 0.32891 0.83012 0.51206 1.00000
Cd2 Cd 0.49242 0.20124 0.81392 1.00000
Cd3 Cd 0.84549 0.37791 0.93111 1.00000
Cd4 Cd 0.67109 0.16988 0.48794 1.00000
Cd5 Cd 0.15451 0.62209 0.06889 1.00000
Cd6 Cd 0.00000 0.00000 0.00000 1.00000
Cd7 Cd 0.50758 0.79876 0.18608 1.00000
Au1 Au 0.65740 0.45158 0.23361 1.00000
Au2 Au 0.34260 0.54842 0.76639 1.00000
Au3 Au 0.87688 0.91554 0.33070 1.00000
Au4 Au 0.12312 0.08446 0.66930 1.00000
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