Ce5(YTl)2
Alexandria ALEXAlex-ID: agm009754696 · 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
A2B2C5_608_spg12
Ce2Tl Y5Tl4 Ce
2024-06-28 06:36:16.164789
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009754696).
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 agm009754696
data_agm009754696
_cell_length_a 8.90037
_cell_length_b 8.90037
_cell_length_c 9.53807
_cell_angle_alpha 63.04601
_cell_angle_beta 63.04601
_cell_angle_gamma 22.49175
_cell_volume 256.32586
_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 0.67481 0.67481 0.47056 1.00000
Ce2 Ce 0.32519 0.32519 0.52944 1.00000
Ce3 Ce 0.84239 0.84239 0.20360 1.00000
Ce4 Ce 0.15761 0.15761 0.79640 1.00000
Ce5 Ce 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.47044 0.47044 0.84377 1.00000
Y2 Y 0.52956 0.52956 0.15623 1.00000
Tl1 Tl 0.81247 0.81247 0.84546 1.00000
Tl2 Tl 0.18753 0.18753 0.15454 1.00000
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