Tb2Zr2Sn2C
Alexandria ALEXAlex-ID: agm024081109 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_132_spg139
Zr3SnC Zr10Sn6C Tb5Sn3 Zr3SnC2
2025-06-08 23:18:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024081109).
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 agm024081109
data_agm024081109
_cell_length_a 8.63653
_cell_length_b 8.63653
_cell_length_c 8.63653
_cell_angle_alpha 149.48190
_cell_angle_beta 149.48190
_cell_angle_gamma 43.70246
_cell_volume 165.65923
_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 0.16035 0.16035 0.00000 1.00000
Tb2 Tb 0.83965 0.83965 0.00000 1.00000
Zr1 Zr 0.50000 0.00000 0.50000 1.00000
Zr2 Zr 0.00000 0.50000 0.50000 1.00000
Sn1 Sn 0.36380 0.36380 0.00000 1.00000
Sn2 Sn 0.63620 0.63620 0.00000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
获取直接链接