Ce2DySi2S8Cl
Alexandria ALEXAlex-ID: agm010614768 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2E8_41_spg15
DySCl Ce3S5 SiS2 Si
2024-12-09 17:24:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010614768).
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 agm010614768
data_agm010614768
_cell_length_a 8.53339
_cell_length_b 8.53339
_cell_length_c 11.32808
_cell_angle_alpha 87.14304
_cell_angle_beta 92.85696
_cell_angle_gamma 126.82221
_cell_volume 659.30269
_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 0.68244 0.06547 0.30251 1.00000
Ce2 Ce 0.06547 0.68244 0.19749 1.00000
Ce3 Ce 0.31756 0.93453 0.69749 1.00000
Ce4 Ce 0.93453 0.31756 0.80251 1.00000
Dy1 Dy 0.39546 0.39546 0.25000 1.00000
Dy2 Dy 0.60454 0.60454 0.75000 1.00000
Si1 Si 0.36474 0.68926 0.96120 1.00000
Si2 Si 0.68926 0.36474 0.53880 1.00000
Si3 Si 0.63526 0.31074 0.03880 1.00000
Si4 Si 0.31074 0.63526 0.46120 1.00000
S1 S 0.60481 0.89578 0.85430 1.00000
S2 S 0.89578 0.60481 0.64570 1.00000
S3 S 0.39519 0.10422 0.14570 1.00000
S4 S 0.10422 0.39519 0.35430 1.00000
S5 S 0.28890 0.41228 0.91835 1.00000
S6 S 0.41228 0.28890 0.58165 1.00000
S7 S 0.71110 0.58772 0.08165 1.00000
S8 S 0.58772 0.71110 0.41835 1.00000
S9 S 0.42206 0.71839 0.14796 1.00000
S10 S 0.71839 0.42206 0.35204 1.00000
S11 S 0.57794 0.28161 0.85204 1.00000
S12 S 0.28161 0.57794 0.64796 1.00000
S13 S 0.13312 0.71149 0.91711 1.00000
S14 S 0.71149 0.13312 0.58289 1.00000
S15 S 0.86688 0.28851 0.08289 1.00000
S16 S 0.28851 0.86688 0.41711 1.00000
Cl1 Cl 0.98516 0.98516 0.75000 1.00000
Cl2 Cl 0.01484 0.01484 0.25000 1.00000
