Na2SbAs2
Alexandria ALEXAlex-ID: agm003403545 · 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
AB2C2_33_spg12
Sb NaAs
2022-02-11 04:39:34.333295
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403545).
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 agm003403545
data_agm003403545
_cell_length_a 4.81044
_cell_length_b 6.26733
_cell_length_c 9.81245
_cell_angle_alpha 87.59846
_cell_angle_beta 75.81110
_cell_angle_gamma 67.43250
_cell_volume 264.39544
_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 0.68401 0.32831 0.30368 1.00000
Na2 Na 0.90373 0.28150 0.91104 1.00000
Na3 Na 0.31599 0.67169 0.69632 1.00000
Na4 Na 0.09627 0.71850 0.08896 1.00000
Sb1 Sb 0.61564 0.09480 0.67391 1.00000
Sb2 Sb 0.38436 0.90520 0.32609 1.00000
As1 As 0.06140 0.31250 0.56471 1.00000
As2 As 0.62836 0.83989 0.90339 1.00000
As3 As 0.93860 0.68750 0.43529 1.00000
As4 As 0.37164 0.16011 0.09661 1.00000
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