Sr6Ag3Hg
Alexandria ALEXAlex-ID: agm005990073 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_508_spg11
Sr5Ag2Hg Sr3Ag2 Sr4Hg3
2023-09-22 03:28:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990073).
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 agm005990073
data_agm005990073
_cell_length_a 4.56240
_cell_length_b 12.18358
_cell_length_c 14.66972
_cell_angle_alpha 111.13036
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 760.60790
_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
Sr1 Sr 0.75000 0.48414 0.61480 1.00000
Sr2 Sr 0.25000 0.51586 0.38520 1.00000
Sr3 Sr 0.75000 0.84217 0.09700 1.00000
Sr4 Sr 0.25000 0.15783 0.90300 1.00000
Sr5 Sr 0.75000 0.42823 0.09644 1.00000
Sr6 Sr 0.25000 0.57177 0.90356 1.00000
Sr7 Sr 0.75000 0.74954 0.32295 1.00000
Sr8 Sr 0.25000 0.25046 0.67705 1.00000
Sr9 Sr 0.75000 0.10631 0.42870 1.00000
Sr10 Sr 0.25000 0.89369 0.57130 1.00000
Sr11 Sr 0.75000 0.83934 0.79779 1.00000
Sr12 Sr 0.25000 0.16066 0.20221 1.00000
Ag1 Ag 0.75000 0.35196 0.84957 1.00000
Ag2 Ag 0.25000 0.64804 0.15043 1.00000
Ag3 Ag 0.75000 0.69231 0.52966 1.00000
Ag4 Ag 0.25000 0.30769 0.47034 1.00000
Ag5 Ag 0.75000 0.07995 0.02825 1.00000
Ag6 Ag 0.25000 0.92005 0.97175 1.00000
Hg1 Hg 0.75000 0.07467 0.71729 1.00000
Hg2 Hg 0.25000 0.92533 0.28271 1.00000
