NdHSe
Alexandria ALEXAlex-ID: agm073827770 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_14674_spg38
NdHSe
2025-01-14 22:35:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073827770).
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 agm073827770
data_agm073827770
_cell_length_a 10.57208
_cell_length_b 10.57208
_cell_length_c 4.00999
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 158.05218
_cell_volume 167.51727
_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
Nd1 Nd 0.12872 0.87128 0.50000 1.00000
Nd2 Nd 0.96227 0.03773 0.00000 1.00000
Nd3 Nd 0.79548 0.20452 0.50000 1.00000
H1 H 0.07208 0.92792 0.00000 1.00000
H2 H 0.90631 0.09369 0.50000 1.00000
H3 H 0.23874 0.76126 0.50000 1.00000
Se1 Se 0.51756 0.48244 0.50000 1.00000
Se2 Se 0.35058 0.64942 0.00000 1.00000
Se3 Se 0.68406 0.31594 0.00000 1.00000
