DyHf(CrS3)2
Alexandria ALEXAlex-ID: agm004960070 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
Dy2S3 Cr2S3 HfS2 Dy(Cr3S4)2
2022-08-02 21:43:44.846183
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004960070).
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
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# CIF generated by HEAS from Alexandria entry agm004960070
data_agm004960070
_cell_length_a 6.37680
_cell_length_b 6.37690
_cell_length_c 6.86813
_cell_angle_alpha 62.33151
_cell_angle_beta 62.32825
_cell_angle_gamma 60.01401
_cell_volume 204.17991
_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
Dy1 Dy 0.81319 0.81310 0.56065 1.00000
Hf1 Hf 0.32066 0.32058 0.03826 1.00000
Cr1 Cr 0.51027 0.51035 0.46910 1.00000
Cr2 Cr 0.00600 0.00604 0.98178 1.00000
S1 S 0.61167 0.24487 0.23877 1.00000
S2 S 0.24500 0.90464 0.23864 1.00000
S3 S 0.90466 0.61166 0.23872 1.00000
S4 S 0.37026 0.74012 0.74976 1.00000
S5 S 0.74007 0.13994 0.74970 1.00000
S6 S 0.13982 0.37031 0.74981 1.00000
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