Na8YSb4
Alexandria ALEXAlex-ID: agm097656368 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1240_spg6
Na3Sb YSb NaSb
2025-06-16 23:56:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097656368).
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 agm097656368
data_agm097656368
_cell_length_a 8.87797
_cell_length_b 5.27471
_cell_length_c 10.49328
_cell_angle_alpha 90.00000
_cell_angle_beta 123.56868
_cell_angle_gamma 90.00000
_cell_volume 409.43552
_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
Na1 Na 0.68901 0.00000 0.59898 1.00000
Na2 Na 0.77260 0.00000 0.09937 1.00000
Na3 Na 0.25998 0.00000 0.81846 1.00000
Na4 Na 0.50847 0.00000 0.23554 1.00000
Na5 Na 0.69155 0.50000 0.82889 1.00000
Na6 Na 0.75796 0.50000 0.30929 1.00000
Na7 Na 0.97473 0.50000 0.67786 1.00000
Na8 Na 0.21666 0.50000 0.51815 1.00000
Y1 Y 0.21351 0.50000 0.08976 1.00000
Sb1 Sb 0.99981 0.00000 0.95401 1.00000
Sb2 Sb 0.96383 0.00000 0.46760 1.00000
Sb3 Sb 0.45420 0.50000 0.96997 1.00000
Sb4 Sb 0.49769 0.50000 0.43212 1.00000
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