Ce6GeTe2Se3
Alexandria ALEXAlex-ID: agm033408029 · 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
AB2C3D6_125_spg2
Ce4GeSe3 Ce6GeTe5 CeSe
2025-02-07 03:45:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033408029).
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 agm033408029
data_agm033408029
_cell_length_a 9.61744
_cell_length_b 9.61744
_cell_length_c 8.63470
_cell_angle_alpha 77.48188
_cell_angle_beta 102.51812
_cell_angle_gamma 154.14759
_cell_volume 339.54211
_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 0.66398 0.33602 0.06885 1.00000
Ce2 Ce 0.33932 0.66068 0.40174 1.00000
Ce3 Ce 0.33602 0.66398 0.93115 1.00000
Ce4 Ce 0.00529 0.99471 0.75764 1.00000
Ce5 Ce 0.99471 0.00529 0.24236 1.00000
Ce6 Ce 0.66068 0.33932 0.59826 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.16673 0.83327 0.33561 1.00000
Te2 Te 0.83327 0.16673 0.66439 1.00000
Se1 Se 0.50000 0.50000 0.50000 1.00000
Se2 Se 0.16926 0.83074 0.83641 1.00000
Se3 Se 0.83074 0.16926 0.16359 1.00000
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