SmY2ThNb4
Alexandria ALEXAlex-ID: agm048804467 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_467_spg10
Sm2Y Y2Th Y2Th3 Nb
2024-10-23 00:43:37.391172
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048804467).
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 agm048804467
data_agm048804467
_cell_length_a 3.96053
_cell_length_b 5.25574
_cell_length_c 9.64961
_cell_angle_alpha 85.90493
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 200.34897
_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
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
Y2 Y 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.00000 0.56176 0.25110 1.00000
Nb2 Nb 0.00000 0.43824 0.74890 1.00000
Nb3 Nb 0.50000 0.94019 0.24587 1.00000
Nb4 Nb 0.50000 0.05981 0.75413 1.00000
获取直接链接