TbGa2Co
Alexandria ALEXAlex-ID: agm002144331 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_200_spg107
Tb5Ga11Co6 Tb3Ga5 TbGaCo
2017-04-28 16:02:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002144331).
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 agm002144331
data_agm002144331
_cell_length_a 8.55229
_cell_length_b 9.95159
_cell_length_c 9.95160
_cell_angle_alpha 79.36002
_cell_angle_beta 64.55129
_cell_angle_gamma 64.55140
_cell_volume 690.58147
_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
Co1 Co 0.87307 0.31966 0.00001 1.00000
Co2 Co 0.10971 0.49981 0.49981 1.00000
Co3 Co 0.60948 0.50003 0.50004 1.00000
Co4 Co 0.19284 0.68029 0.99999 1.00000
Co5 Co 0.87307 0.00001 0.31966 1.00000
Co6 Co 0.19283 0.99999 0.68029 1.00000
Co7 Co 0.28747 0.22940 0.22940 1.00000
Co8 Co 0.51685 0.22932 0.77068 1.00000
Co9 Co 0.51685 0.77068 0.22932 1.00000
Co10 Co 0.74611 0.77073 0.77073 1.00000
Tb1 Tb 0.45745 0.00006 0.00006 1.00000
Tb2 Tb 0.96460 0.00003 0.00003 1.00000
Tb3 Tb 0.57270 0.58957 0.99998 1.00000
Tb4 Tb 0.16213 0.99994 0.41049 1.00000
Tb5 Tb 0.57269 0.99998 0.58957 1.00000
Tb6 Tb 0.16212 0.41049 0.99995 1.00000
Tb7 Tb 0.58693 0.27948 0.27948 1.00000
Tb8 Tb 0.86640 0.27945 0.72053 1.00000
Tb9 Tb 0.86640 0.72053 0.27945 1.00000
Tb10 Tb 0.14589 0.72053 0.72053 1.00000
Ga1 Ga 0.20399 0.18387 0.81612 1.00000
Ga2 Ga 0.02023 0.18389 0.18389 1.00000
Ga3 Ga 0.74407 0.61092 0.61092 1.00000
Ga4 Ga 0.35492 0.61094 0.38910 1.00000
Ga5 Ga 0.82035 0.74397 0.99997 1.00000
Ga6 Ga 0.35492 0.38910 0.61094 1.00000
Ga7 Ga 0.96573 0.38908 0.38908 1.00000
Ga8 Ga 0.56421 0.25615 0.00002 1.00000
Ga9 Ga 0.82036 0.99997 0.74397 1.00000
Ga10 Ga 0.56421 0.00002 0.25615 1.00000
Ga11 Ga 0.96942 0.78058 0.50024 1.00000
Ga12 Ga 0.75006 0.50025 0.21932 1.00000
Ga13 Ga 0.46962 0.49977 0.78071 1.00000
Ga14 Ga 0.25036 0.21921 0.49977 1.00000
Ga15 Ga 0.46962 0.78070 0.49977 1.00000
Ga16 Ga 0.75007 0.21931 0.50025 1.00000
Ga17 Ga 0.96942 0.50025 0.78058 1.00000
Ga18 Ga 0.25036 0.49977 0.21921 1.00000
Ga19 Ga 0.38793 0.81613 0.81613 1.00000
Ga20 Ga 0.20399 0.81612 0.18387 1.00000
