Tb3Ge4Pd7
Alexandria ALEXAlex-ID: agm005694053 · 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
A3B4C7_8_spg12
TbGePd2 TbGe2Pd3
2023-06-29 16:21:44.540514
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694053).
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 agm005694053
data_agm005694053
_cell_length_a 4.10737
_cell_length_b 8.13663
_cell_length_c 8.43080
_cell_angle_alpha 70.90996
_cell_angle_beta 75.90130
_cell_angle_gamma 75.38042
_cell_volume 253.61551
_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 0.32470 0.17869 0.17191 1.00000
Tb2 Tb 0.67530 0.82131 0.82809 1.00000
Tb3 Tb 0.00000 0.50000 0.50000 1.00000
Ge1 Ge 0.66297 0.43761 0.23646 1.00000
Ge2 Ge 0.33703 0.56239 0.76354 1.00000
Ge3 Ge 0.89134 0.89144 0.32588 1.00000
Ge4 Ge 0.10866 0.10856 0.67412 1.00000
Pd1 Pd 0.30718 0.85422 0.53142 1.00000
Pd2 Pd 0.48945 0.23450 0.78659 1.00000
Pd3 Pd 0.83070 0.41185 0.92675 1.00000
Pd4 Pd 0.69282 0.14578 0.46858 1.00000
Pd5 Pd 0.16930 0.58815 0.07325 1.00000
Pd6 Pd 0.00000 0.00000 0.00000 1.00000
Pd7 Pd 0.51055 0.76550 0.21341 1.00000
获取直接链接