Sr2UAgS5
Alexandria ALEXAlex-ID: agm005158446 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_224_spg36
Sr5(US4)3 Sr(AgS)2 Ag2S AgS2
2023-01-19 13:53:14.399183
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158446).
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 agm005158446
data_agm005158446
_cell_length_a 4.09266
_cell_length_b 8.92406
_cell_length_c 12.75729
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.25613
_cell_volume 453.52103
_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 0.88069 0.76138 0.81271 1.00000
Sr2 Sr 0.09184 0.18368 0.66909 1.00000
Sr3 Sr 0.11931 0.23862 0.31271 1.00000
Sr4 Sr 0.90816 0.81632 0.16909 1.00000
U1 U 0.78519 0.57038 0.52262 1.00000
U2 U 0.21481 0.42962 0.02262 1.00000
Ag1 Ag 0.56518 0.13037 0.94087 1.00000
Ag2 Ag 0.43482 0.86963 0.44087 1.00000
S1 S 0.36326 0.72653 0.00088 1.00000
S2 S 0.71069 0.42138 0.88721 1.00000
S3 S 0.49765 0.99531 0.77018 1.00000
S4 S 0.27415 0.54830 0.66083 1.00000
S5 S 0.92873 0.85746 0.55959 1.00000
S6 S 0.63674 0.27347 0.50088 1.00000
S7 S 0.28931 0.57862 0.38721 1.00000
S8 S 0.50235 0.00469 0.27018 1.00000
S9 S 0.72585 0.45170 0.16083 1.00000
S10 S 0.07127 0.14254 0.05959 1.00000
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