Tb5FeTe2
Alexandria ALEXAlex-ID: agm044188069 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_989_spg62
Tb5FeTe2
2025-02-25 09:17:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044188069).
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 agm044188069
data_agm044188069
_cell_length_a 7.92384
_cell_length_b 8.66807
_cell_length_c 12.41969
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 853.03871
_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
Tb1 Tb 0.45016 0.75000 0.00161 1.00000
Tb2 Tb 0.54984 0.25000 0.99839 1.00000
Tb3 Tb 0.95016 0.25000 0.49839 1.00000
Tb4 Tb 0.04984 0.75000 0.50161 1.00000
Tb5 Tb 0.17384 0.45878 0.06522 1.00000
Tb6 Tb 0.82616 0.54122 0.93478 1.00000
Tb7 Tb 0.67384 0.54122 0.43478 1.00000
Tb8 Tb 0.82616 0.95878 0.93478 1.00000
Tb9 Tb 0.32616 0.45878 0.56522 1.00000
Tb10 Tb 0.17384 0.04122 0.06522 1.00000
Tb11 Tb 0.32616 0.04122 0.56522 1.00000
Tb12 Tb 0.67384 0.95878 0.43478 1.00000
Tb13 Tb 0.34480 0.75000 0.30120 1.00000
Tb14 Tb 0.65520 0.25000 0.69880 1.00000
Tb15 Tb 0.84480 0.25000 0.19880 1.00000
Tb16 Tb 0.15520 0.75000 0.80120 1.00000
Tb17 Tb 0.87964 0.75000 0.18988 1.00000
Tb18 Tb 0.12036 0.25000 0.81012 1.00000
Tb19 Tb 0.37964 0.25000 0.31012 1.00000
Tb20 Tb 0.62036 0.75000 0.68988 1.00000
Fe1 Fe 0.07937 0.75000 0.01283 1.00000
Fe2 Fe 0.92063 0.25000 0.98717 1.00000
Fe3 Fe 0.57937 0.25000 0.48717 1.00000
Fe4 Fe 0.42063 0.75000 0.51283 1.00000
Te1 Te 0.06714 0.00973 0.32459 1.00000
Te2 Te 0.93286 0.99027 0.67541 1.00000
Te3 Te 0.56714 0.99027 0.17541 1.00000
Te4 Te 0.93286 0.50973 0.67541 1.00000
Te5 Te 0.43286 0.00973 0.82459 1.00000
Te6 Te 0.06714 0.49027 0.32459 1.00000
Te7 Te 0.43286 0.49027 0.82459 1.00000
Te8 Te 0.56714 0.50973 0.17541 1.00000
