Tb3Ga3Ni2Rh
Alexandria ALEXAlex-ID: agm034772906 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D3_12_spg6
Tb2Ga2NiRh TbGaNi
2024-12-05 14:46:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034772906).
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 agm034772906
data_agm034772906
_cell_length_a 6.77799
_cell_length_b 4.30494
_cell_length_c 22.83229
_cell_angle_alpha 90.00000
_cell_angle_beta 90.14085
_cell_angle_gamma 90.00000
_cell_volume 666.21755
_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 0.52742 0.00000 0.93871 1.00000
Tb2 Tb 0.52550 0.00000 0.60312 1.00000
Tb3 Tb 0.52602 0.00000 0.27063 1.00000
Tb4 Tb 0.02823 0.00000 0.89699 1.00000
Tb5 Tb 0.02871 0.00000 0.56047 1.00000
Tb6 Tb 0.03050 0.00000 0.22906 1.00000
Tb7 Tb 0.47117 0.50000 0.72917 1.00000
Tb8 Tb 0.47210 0.50000 0.39631 1.00000
Tb9 Tb 0.47533 0.50000 0.06487 1.00000
Tb10 Tb 0.97165 0.50000 0.77028 1.00000
Tb11 Tb 0.97262 0.50000 0.43666 1.00000
Tb12 Tb 0.97642 0.50000 0.10456 1.00000
Ga1 Ga 0.65691 0.00000 0.81331 1.00000
Ga2 Ga 0.65546 0.00000 0.47899 1.00000
Ga3 Ga 0.65990 0.00000 0.14697 1.00000
Ga4 Ga 0.15588 0.00000 0.68598 1.00000
Ga5 Ga 0.16076 0.00000 0.35552 1.00000
Ga6 Ga 0.16406 0.00000 0.02376 1.00000
Ga7 Ga 0.34541 0.50000 0.85946 1.00000
Ga8 Ga 0.34083 0.50000 0.52156 1.00000
Ga9 Ga 0.34135 0.50000 0.19010 1.00000
Ga10 Ga 0.84633 0.50000 0.97554 1.00000
Ga11 Ga 0.84720 0.50000 0.64010 1.00000
Ga12 Ga 0.84612 0.50000 0.30748 1.00000
Ni1 Ni 0.27877 0.00000 0.46276 1.00000
Ni2 Ni 0.28259 0.00000 0.13156 1.00000
Ni3 Ni 0.22335 0.50000 0.96516 1.00000
Ni4 Ni 0.22367 0.50000 0.62704 1.00000
Ni5 Ni 0.22298 0.50000 0.29639 1.00000
Ni6 Ni 0.72282 0.50000 0.87118 1.00000
Ni7 Ni 0.71990 0.50000 0.53582 1.00000
Ni8 Ni 0.72178 0.50000 0.20342 1.00000
Rh1 Rh 0.76812 0.00000 0.70290 1.00000
Rh2 Rh 0.76936 0.00000 0.36979 1.00000
Rh3 Rh 0.77223 0.00000 0.03765 1.00000
Rh4 Rh 0.26851 0.00000 0.79675 1.00000
