Na4Sr2NbAs4
Alexandria ALEXAlex-ID: agm020034149 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4D4_82_spg1
Na5SrNbAs4 NaSrAs NbAs
2025-03-05 06:47:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020034149).
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 agm020034149
data_agm020034149
_cell_length_a 7.64018
_cell_length_b 9.67759
_cell_length_c 9.69552
_cell_angle_alpha 60.05254
_cell_angle_beta 90.25779
_cell_angle_gamma 90.52830
_cell_volume 621.13212
_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 0.61273 0.93325 0.53583 1.00000
Na2 Na 0.11286 0.46945 0.46410 1.00000
Na3 Na 0.79291 0.73224 0.13467 1.00000
Na4 Na 0.76502 0.13129 0.14408 1.00000
Na5 Na 0.77748 0.13466 0.72136 1.00000
Na6 Na 0.26477 0.27474 0.85640 1.00000
Na7 Na 0.29304 0.86648 0.86498 1.00000
Na8 Na 0.27776 0.85640 0.27848 1.00000
Sr1 Sr 0.60813 0.53263 0.52448 1.00000
Sr2 Sr 0.61792 0.53113 0.94556 1.00000
Sr3 Sr 0.10804 0.05720 0.47548 1.00000
Sr4 Sr 0.11779 0.47670 0.05451 1.00000
Nb1 Nb 0.49946 0.32695 0.33956 1.00000
Nb2 Nb 0.99943 0.66649 0.66047 1.00000
As1 As 0.82996 0.33968 0.32364 1.00000
As2 As 0.32992 0.66320 0.67638 1.00000
As3 As 0.88724 0.38093 0.81076 1.00000
As4 As 0.90391 0.81050 0.80847 1.00000
As5 As 0.89577 0.81291 0.37842 1.00000
As6 As 0.40399 0.61902 0.19157 1.00000
As7 As 0.38725 0.19175 0.18924 1.00000
As8 As 0.39558 0.19141 0.62156 1.00000
