Ce3Cd3Ga8
Alexandria ALEXAlex-ID: agm008311237 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_82_spg71
CeCd11 CeGa2 CeGa3
2024-05-09 18:57:27.611379
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008311237).
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 agm008311237
data_agm008311237
_cell_length_a 8.74813
_cell_length_b 8.74813
_cell_length_c 8.74813
_cell_angle_alpha 150.98036
_cell_angle_beta 112.16907
_cell_angle_gamma 75.41628
_cell_volume 296.17957
_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 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.80100 0.80100 0.00000 1.00000
Ce3 Ce 0.19900 0.19900 0.00000 1.00000
Cd1 Cd 0.00000 0.50000 0.50000 1.00000
Cd2 Cd 0.79273 0.00000 0.79273 1.00000
Cd3 Cd 0.20727 0.00000 0.20727 1.00000
Ga1 Ga 0.37478 0.65290 0.72189 1.00000
Ga2 Ga 0.62522 0.34710 0.27811 1.00000
Ga3 Ga 0.93101 0.65290 0.27811 1.00000
Ga4 Ga 0.06899 0.34710 0.72189 1.00000
Ga5 Ga 0.47067 0.84029 0.63038 1.00000
Ga6 Ga 0.52933 0.15971 0.36962 1.00000
Ga7 Ga 0.20992 0.84029 0.36962 1.00000
Ga8 Ga 0.79008 0.15971 0.63038 1.00000
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