Th(NbGa10)2
Alexandria ALEXAlex-ID: agm022321689 · 空间群: Fd-3m (#227)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C20_0_spg227
Th(NbGa10)2
2024-12-08 09:26:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022321689).
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 agm022321689
data_agm022321689
_cell_length_a 10.59874
_cell_length_b 10.59874
_cell_length_c 10.59874
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 841.87434
_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
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.25000 0.25000 0.25000 1.00000
Nb1 Nb 0.62500 0.12500 0.62500 1.00000
Nb2 Nb 0.62500 0.62500 0.12500 1.00000
Nb3 Nb 0.12500 0.62500 0.62500 1.00000
Nb4 Nb 0.62500 0.62500 0.62500 1.00000
Ga1 Ga 0.12500 0.62500 0.12500 1.00000
Ga2 Ga 0.12500 0.12500 0.62500 1.00000
Ga3 Ga 0.62500 0.12500 0.12500 1.00000
Ga4 Ga 0.12500 0.12500 0.12500 1.00000
Ga5 Ga 0.64167 0.35833 0.35833 1.00000
Ga6 Ga 0.35833 0.64167 0.64167 1.00000
Ga7 Ga 0.35833 0.35833 0.64167 1.00000
Ga8 Ga 0.64167 0.64167 0.35833 1.00000
Ga9 Ga 0.35833 0.64167 0.35833 1.00000
Ga10 Ga 0.64167 0.35833 0.64167 1.00000
Ga11 Ga 0.60833 0.89167 0.89167 1.00000
Ga12 Ga 0.89167 0.60833 0.60833 1.00000
Ga13 Ga 0.89167 0.89167 0.60833 1.00000
Ga14 Ga 0.60833 0.60833 0.89167 1.00000
Ga15 Ga 0.89167 0.60833 0.89167 1.00000
Ga16 Ga 0.60833 0.89167 0.60833 1.00000
Ga17 Ga 0.80353 0.06777 0.80353 1.00000
Ga18 Ga 0.32516 0.80353 0.06777 1.00000
Ga19 Ga 0.06777 0.80353 0.32516 1.00000
Ga20 Ga 0.80353 0.32516 0.80353 1.00000
Ga21 Ga 0.06777 0.80353 0.80353 1.00000
Ga22 Ga 0.80353 0.06777 0.32516 1.00000
Ga23 Ga 0.80353 0.32516 0.06777 1.00000
Ga24 Ga 0.32516 0.80353 0.80353 1.00000
Ga25 Ga 0.80353 0.80353 0.06777 1.00000
Ga26 Ga 0.06777 0.32516 0.80353 1.00000
Ga27 Ga 0.32516 0.06777 0.80353 1.00000
Ga28 Ga 0.80353 0.80353 0.32516 1.00000
Ga29 Ga 0.44647 0.18223 0.44647 1.00000
Ga30 Ga 0.92484 0.44647 0.18223 1.00000
Ga31 Ga 0.18223 0.44647 0.92484 1.00000
Ga32 Ga 0.44647 0.92484 0.44647 1.00000
Ga33 Ga 0.18223 0.44647 0.44647 1.00000
Ga34 Ga 0.44647 0.18223 0.92484 1.00000
Ga35 Ga 0.44647 0.92484 0.18223 1.00000
Ga36 Ga 0.92484 0.44647 0.44647 1.00000
Ga37 Ga 0.44647 0.44647 0.18223 1.00000
Ga38 Ga 0.18223 0.92484 0.44647 1.00000
Ga39 Ga 0.92484 0.18223 0.44647 1.00000
Ga40 Ga 0.44647 0.44647 0.92484 1.00000
