Nb3SnH
Alexandria ALEXAlex-ID: agm003075673 · 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
ABC3_1506_spg12
Nb3SnH
2016-01-28 20:14:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003075673).
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 agm003075673
data_agm003075673
_cell_length_a 14.33602
_cell_length_b 5.58000
_cell_length_c 5.58000
_cell_angle_alpha 131.39607
_cell_angle_beta 143.33444
_cell_angle_gamma 36.66556
_cell_volume 158.96803
_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
H1 H 0.96074 0.86551 0.13449 1.00000
H2 H 0.03926 0.13449 0.86551 1.00000
Nb1 Nb 0.80793 0.32099 0.67901 1.00000
Nb2 Nb 0.19207 0.67901 0.32099 1.00000
Nb3 Nb 0.94310 0.43339 0.56661 1.00000
Nb4 Nb 0.05690 0.56661 0.43339 1.00000
Nb5 Nb 0.31542 0.79628 0.20372 1.00000
Nb6 Nb 0.68458 0.20372 0.79628 1.00000
Sn1 Sn 0.57465 0.04710 0.95290 1.00000
Sn2 Sn 0.42535 0.95290 0.04710 1.00000
