Na3Sb2Au
Alexandria ALEXAlex-ID: agm005677072 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2349_spg56
Na2SbAu NaSb
2023-08-23 01:23:35.929338
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677072).
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 agm005677072
data_agm005677072
_cell_length_a 9.32318
_cell_length_b 6.41455
_cell_length_c 14.49630
_cell_angle_alpha 90.00000
_cell_angle_beta 129.95321
_cell_angle_gamma 90.00000
_cell_volume 664.56708
_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 0.50412 0.90783 0.11844 1.00000
Na2 Na 0.99588 0.40783 0.38156 1.00000
Na3 Na 0.49588 0.09217 0.88156 1.00000
Na4 Na 0.00412 0.59217 0.61844 1.00000
Na5 Na 0.22977 0.59268 0.11896 1.00000
Na6 Na 0.27023 0.09268 0.38104 1.00000
Na7 Na 0.77023 0.40732 0.88104 1.00000
Na8 Na 0.72977 0.90732 0.61896 1.00000
Na9 Na 0.88408 0.75268 0.13589 1.00000
Na10 Na 0.61592 0.25268 0.36411 1.00000
Na11 Na 0.11592 0.24732 0.86411 1.00000
Na12 Na 0.38408 0.74732 0.63589 1.00000
Sb1 Sb 0.90881 0.87871 0.38890 1.00000
Sb2 Sb 0.59119 0.37871 0.11110 1.00000
Sb3 Sb 0.09119 0.12129 0.61110 1.00000
Sb4 Sb 0.40881 0.62129 0.88890 1.00000
Sb5 Sb 0.36525 0.61950 0.38903 1.00000
Sb6 Sb 0.13475 0.11950 0.11097 1.00000
Sb7 Sb 0.63475 0.38050 0.61097 1.00000
Sb8 Sb 0.86525 0.88050 0.88903 1.00000
Au1 Au 0.61845 0.75306 0.37122 1.00000
Au2 Au 0.88155 0.25306 0.12878 1.00000
Au3 Au 0.38155 0.24694 0.62878 1.00000
Au4 Au 0.11845 0.74694 0.87122 1.00000
