CeS2
Alexandria ALEXAlex-ID: agm077449593 · 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
AB2_3339_spg8
CeS2
2025-01-16 06:35:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077449593).
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 agm077449593
data_agm077449593
_cell_length_a 4.19312
_cell_length_b 7.67698
_cell_length_c 8.72685
_cell_angle_alpha 100.49971
_cell_angle_beta 94.05886
_cell_angle_gamma 91.81964
_cell_volume 275.23953
_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
Ce1 Ce 0.25378 0.23860 0.92869 1.00000
Ce2 Ce 0.78536 0.20537 0.38594 1.00000
Ce3 Ce 0.74622 0.76140 0.07131 1.00000
Ce4 Ce 0.21464 0.79463 0.61406 1.00000
S1 S 0.26415 0.15747 0.60454 1.00000
S2 S 0.66506 0.52193 0.59774 1.00000
S3 S 0.21134 0.60586 0.88746 1.00000
S4 S 0.74163 0.96821 0.83223 1.00000
S5 S 0.33494 0.47807 0.40226 1.00000
S6 S 0.78866 0.39414 0.11254 1.00000
S7 S 0.25837 0.03179 0.16777 1.00000
S8 S 0.73585 0.84253 0.39546 1.00000
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