Cd2SO
Alexandria ALEXAlex-ID: agm005776037 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1272_spg8
CdS CdO
2023-07-13 06:10:03.366579
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776037).
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 agm005776037
data_agm005776037
_cell_length_a 3.92146
_cell_length_b 6.79245
_cell_length_c 6.73820
_cell_angle_alpha 79.31037
_cell_angle_beta 89.99440
_cell_angle_gamma 73.20890
_cell_volume 168.57377
_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
Cd1 Cd 0.18883 0.31606 0.22007 1.00000
Cd2 Cd 0.92690 0.83923 0.39192 1.00000
Cd3 Cd 0.64562 0.40201 0.64415 1.00000
Cd4 Cd 0.40745 0.87825 0.94202 1.00000
S1 S 0.60805 0.47750 0.00258 1.00000
S2 S 0.84584 0.00149 0.71031 1.00000
O1 O 0.36308 0.96687 0.24440 1.00000
O2 O 0.10140 0.49040 0.47909 1.00000
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