SmVB14
Alexandria ALEXAlex-ID: agm005755329 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_1_spg74
SmB6 VB2 B
2023-07-18 14:14:38.478307
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755329).
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 agm005755329
data_agm005755329
_cell_length_a 5.83825
_cell_length_b 7.38687
_cell_length_c 7.38687
_cell_angle_alpha 67.68574
_cell_angle_beta 66.72295
_cell_angle_gamma 66.72295
_cell_volume 259.21726
_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 0.25000 0.38186 0.11814 1.00000
Sm2 Sm 0.75000 0.61814 0.88186 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
B1 B 0.66750 0.36199 0.30300 1.00000
B2 B 0.33250 0.63801 0.69700 1.00000
B3 B 0.16750 0.80300 0.86199 1.00000
B4 B 0.83250 0.19700 0.13801 1.00000
B5 B 0.12738 0.24116 0.50408 1.00000
B6 B 0.87262 0.75884 0.49592 1.00000
B7 B 0.62738 0.00408 0.74116 1.00000
B8 B 0.37262 0.99592 0.25884 1.00000
B9 B 0.08420 0.08448 0.74711 1.00000
B10 B 0.91580 0.91552 0.25289 1.00000
B11 B 0.58420 0.24711 0.58448 1.00000
B12 B 0.41580 0.75289 0.41552 1.00000
B13 B 0.72286 0.59896 0.27639 1.00000
B14 B 0.59820 0.40104 0.72361 1.00000
B15 B 0.22286 0.77639 0.09896 1.00000
B16 B 0.09820 0.22361 0.90104 1.00000
B17 B 0.27714 0.40104 0.72361 1.00000
B18 B 0.40180 0.59896 0.27639 1.00000
B19 B 0.77714 0.22361 0.90104 1.00000
B20 B 0.90180 0.77639 0.09896 1.00000
B21 B 0.32667 0.97085 0.87263 1.00000
B22 B 0.17014 0.02915 0.12737 1.00000
B23 B 0.82667 0.37263 0.47085 1.00000
B24 B 0.67014 0.62737 0.52915 1.00000
B25 B 0.67333 0.02915 0.12737 1.00000
B26 B 0.82986 0.97085 0.87263 1.00000
B27 B 0.17333 0.62737 0.52915 1.00000
B28 B 0.32986 0.37263 0.47085 1.00000
