Ag4PS8
Alexandria ALEXAlex-ID: agm097364342 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1412_spg1
AgS9 Ag3PS4 AgS2
2025-06-18 04:32:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097364342).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097364342
data_agm097364342
_cell_length_a 4.24515
_cell_length_b 10.26480
_cell_length_c 9.80362
_cell_angle_alpha 126.75395
_cell_angle_beta 73.61966
_cell_angle_gamma 108.35967
_cell_volume 322.38744
_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
Ag1 Ag 0.00751 0.86196 0.88293 1.00000
Ag2 Ag 0.94309 0.03769 0.60143 1.00000
Ag3 Ag 0.03227 0.64259 0.98838 1.00000
Ag4 Ag 0.02999 0.35703 0.40208 1.00000
P1 P 0.54717 0.01826 0.98940 1.00000
S1 S 0.22869 0.24290 0.52852 1.00000
S2 S 0.70171 0.20182 0.93454 1.00000
S3 S 0.38219 0.67910 0.32891 1.00000
S4 S 0.72519 0.58970 0.64983 1.00000
S5 S 0.59297 0.27340 0.20200 1.00000
S6 S 0.42485 0.45253 0.74755 1.00000
S7 S 0.53319 0.75953 0.16718 1.00000
S8 S 0.35120 0.88348 0.57725 1.00000
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