Rb2Cd2S2O
Alexandria ALEXAlex-ID: agm004544404 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_152_spg12
Rb2Cd3S4 Rb2SO4 Rb2CdS2 Cd
2022-06-22 23:56:00.919565
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004544404).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004544404
data_agm004544404
_cell_length_a 4.20138
_cell_length_b 7.41716
_cell_length_c 7.83234
_cell_angle_alpha 54.06728
_cell_angle_beta 89.99431
_cell_angle_gamma 73.53945
_cell_volume 185.13713
_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
Rb1 Rb 0.55427 0.89149 0.80264 1.00000
Rb2 Rb 0.44573 0.10851 0.19736 1.00000
Cd1 Cd 0.81827 0.36328 0.71381 1.00000
Cd2 Cd 0.18173 0.63672 0.28619 1.00000
S1 S 0.80808 0.38410 0.35673 1.00000
S2 S 0.19192 0.61590 0.64327 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
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