ErPS4
Alexandria ALEXAlex-ID: agm002178909 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_163_spg2
ErPS4
2018-06-17 08:33:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002178909).
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 agm002178909
data_agm002178909
_cell_length_a 6.41356
_cell_length_b 6.59911
_cell_length_c 7.73512
_cell_angle_alpha 88.18142
_cell_angle_beta 87.76273
_cell_angle_gamma 83.00736
_cell_volume 324.57704
_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
P1 P 0.69425 0.74314 0.17876 1.00000
P2 P 0.30575 0.25686 0.82124 1.00000
S1 S 0.56624 0.23492 0.66648 1.00000
S2 S 0.43376 0.76508 0.33352 1.00000
S3 S 0.87697 0.97815 0.20316 1.00000
S4 S 0.12303 0.02185 0.79684 1.00000
S5 S 0.61566 0.71934 0.92332 1.00000
S6 S 0.38434 0.28066 0.07668 1.00000
S7 S 0.90929 0.49102 0.23328 1.00000
S8 S 0.09071 0.50898 0.76672 1.00000
Er1 Er 0.79344 0.29207 0.94390 1.00000
Er2 Er 0.20656 0.70793 0.05610 1.00000
获取直接链接