Rb3Sb2As
Alexandria ALEXAlex-ID: agm005676571 · 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_2128_spg14
RbSb RbAs
2023-08-07 12:39:21.743909
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676571).
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 agm005676571
data_agm005676571
_cell_length_a 6.27612
_cell_length_b 12.05913
_cell_length_c 14.85205
_cell_angle_alpha 90.00001
_cell_angle_beta 116.76366
_cell_angle_gamma 89.99999
_cell_volume 1003.65005
_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
Rb1 Rb 0.35808 0.88442 0.05831 1.00000
Rb2 Rb 0.14192 0.38442 0.44169 1.00000
Rb3 Rb 0.64192 0.11558 0.94169 1.00000
Rb4 Rb 0.85808 0.61558 0.55831 1.00000
Rb5 Rb 0.40998 0.49574 0.24397 1.00000
Rb6 Rb 0.09002 0.99574 0.25603 1.00000
Rb7 Rb 0.59002 0.50426 0.75603 1.00000
Rb8 Rb 0.90998 0.00426 0.74397 1.00000
Rb9 Rb 0.77078 0.61324 0.09721 1.00000
Rb10 Rb 0.72922 0.11324 0.40279 1.00000
Rb11 Rb 0.22922 0.38676 0.90279 1.00000
Rb12 Rb 0.27078 0.88676 0.59721 1.00000
Sb1 Sb 0.74169 0.78343 0.31415 1.00000
Sb2 Sb 0.75831 0.28343 0.18585 1.00000
Sb3 Sb 0.25831 0.21657 0.68585 1.00000
Sb4 Sb 0.24169 0.71657 0.81415 1.00000
Sb5 Sb 0.21356 0.68409 0.40506 1.00000
Sb6 Sb 0.28644 0.18409 0.09494 1.00000
Sb7 Sb 0.78644 0.31591 0.59494 1.00000
Sb8 Sb 0.71356 0.81591 0.90506 1.00000
As1 As 0.55857 0.84409 0.43921 1.00000
As2 As 0.94143 0.34409 0.06079 1.00000
As3 As 0.44143 0.15591 0.56079 1.00000
As4 As 0.05857 0.65591 0.93921 1.00000
