Ce2GaTe
Alexandria ALEXAlex-ID: agm005757328 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_434_spg63
CeGa CeTe
2023-07-12 02:58:43.248718
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757328).
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 agm005757328
data_agm005757328
_cell_length_a 4.29338
_cell_length_b 4.52808
_cell_length_c 12.10431
_cell_angle_alpha 100.78033
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 231.16414
_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 0.75000 0.67298 0.34596 1.00000
Ce2 Ce 0.25000 0.32702 0.65404 1.00000
Ce3 Ce 0.75000 0.94024 0.88049 1.00000
Ce4 Ce 0.25000 0.05976 0.11951 1.00000
Ga1 Ga 0.25000 0.46313 0.92627 1.00000
Ga2 Ga 0.75000 0.53687 0.07373 1.00000
Te1 Te 0.25000 0.19187 0.38373 1.00000
Te2 Te 0.75000 0.80813 0.61627 1.00000
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