Ce8TlAu2
Alexandria ALEXAlex-ID: agm005990838 · 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
AB2C8_1220_spg71
Ce2Tl Ce CeAu
2023-10-10 03:33:33.888456
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990838).
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
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# CIF generated by HEAS from Alexandria entry agm005990838
data_agm005990838
_cell_length_a 5.07542
_cell_length_b 9.21271
_cell_length_c 8.30364
_cell_angle_alpha 123.69194
_cell_angle_beta 107.79330
_cell_angle_gamma 90.00001
_cell_volume 300.47196
_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
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Au1 Au 0.17471 0.67471 0.34941 1.00000
Au2 Au 0.82529 0.32529 0.65059 1.00000
Ce1 Ce 0.66618 0.88543 0.33239 1.00000
Ce2 Ce 0.33383 0.55305 0.66763 1.00000
Ce3 Ce 0.18699 0.18699 0.37399 1.00000
Ce4 Ce 1.00000 0.28671 0.99999 1.00000
Ce5 Ce 0.81301 0.81300 0.62601 1.00000
Ce6 Ce 0.66617 0.44695 0.33237 1.00000
Ce7 Ce 0.33382 0.11456 0.66761 1.00000
Ce8 Ce 0.00000 0.71329 0.00001 1.00000
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