Nd5SbAs4
Alexandria ALEXAlex-ID: agm006102493 · 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
AB4C5_62_spg12
NdSb NdAs
2023-10-10 16:40:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006102493).
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 agm006102493
data_agm006102493
_cell_length_a 4.31889
_cell_length_b 7.48940
_cell_length_c 9.67344
_cell_angle_alpha 75.18081
_cell_angle_beta 77.10091
_cell_angle_gamma 73.24178
_cell_volume 285.84054
_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 0.20383 0.90132 0.69102 1.00000
Nd2 Nd 0.79617 0.09868 0.30898 1.00000
Nd3 Nd 0.39420 0.31766 0.89394 1.00000
Nd4 Nd 0.00000 0.50000 0.50000 1.00000
Nd5 Nd 0.60580 0.68234 0.10606 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
As1 As 0.59827 0.20279 0.60067 1.00000
As2 As 0.20169 0.39341 0.20321 1.00000
As3 As 0.79831 0.60659 0.79679 1.00000
As4 As 0.40173 0.79721 0.39933 1.00000
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