LaCeCd17
Alexandria ALEXAlex-ID: agm005757776 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC17_0_spg160
CeCd3 LaCd11 CeCd11
2023-07-11 17:14:16.204782
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757776).
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 agm005757776
data_agm005757776
_cell_length_a 7.68976
_cell_length_b 7.68976
_cell_length_c 7.68976
_cell_angle_alpha 82.27223
_cell_angle_beta 82.27223
_cell_angle_gamma 82.27224
_cell_volume 443.34488
_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
La1 La 0.66628 0.66628 0.66628 1.00000
Ce1 Ce 0.33171 0.33171 0.33171 1.00000
Cd1 Cd 0.29840 0.00089 0.69984 1.00000
Cd2 Cd 0.69984 0.29840 0.00089 1.00000
Cd3 Cd 0.00089 0.69984 0.29840 1.00000
Cd4 Cd 0.29840 0.69984 0.00089 1.00000
Cd5 Cd 0.00089 0.29840 0.69984 1.00000
Cd6 Cd 0.69984 0.00089 0.29840 1.00000
Cd7 Cd 0.35357 0.85217 0.35357 1.00000
Cd8 Cd 0.35357 0.35357 0.85217 1.00000
Cd9 Cd 0.85217 0.35357 0.35357 1.00000
Cd10 Cd 0.63558 0.17525 0.63558 1.00000
Cd11 Cd 0.63558 0.63558 0.17525 1.00000
Cd12 Cd 0.17525 0.63558 0.63558 1.00000
Cd13 Cd 0.99246 0.50809 0.99246 1.00000
Cd14 Cd 0.99246 0.99246 0.50809 1.00000
Cd15 Cd 0.50809 0.99246 0.99246 1.00000
Cd16 Cd 0.90180 0.90180 0.90180 1.00000
Cd17 Cd 0.10323 0.10323 0.10323 1.00000
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