TbGe3Pd2
Alexandria ALEXAlex-ID: agm005669487 · 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
AB2C3_846_spg12
Tb(GePd)2 Ge
2023-08-18 06:36:00.522350
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669487).
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 agm005669487
data_agm005669487
_cell_length_a 4.53354
_cell_length_b 6.77062
_cell_length_c 8.51380
_cell_angle_alpha 116.60448
_cell_angle_beta 105.44100
_cell_angle_gamma 90.00001
_cell_volume 223.06043
_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 0.13029 0.10404 0.26059 1.00000
Tb2 Tb 0.86971 0.89596 0.73941 1.00000
Ge1 Ge 0.67526 0.46316 0.35053 1.00000
Ge2 Ge 0.03814 0.38487 0.07628 1.00000
Ge3 Ge 0.33403 0.14142 0.66805 1.00000
Ge4 Ge 0.66597 0.85858 0.33195 1.00000
Ge5 Ge 0.96186 0.61513 0.92372 1.00000
Ge6 Ge 0.32474 0.53684 0.64947 1.00000
Pd1 Pd 0.50156 0.20717 0.00312 1.00000
Pd2 Pd 0.49844 0.79283 0.99688 1.00000
Pd3 Pd 0.20943 0.71180 0.41886 1.00000
Pd4 Pd 0.79057 0.28820 0.58114 1.00000
获取直接链接