Cd3(HRh)4
Alexandria ALEXAlex-ID: agm005708282 · 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
A3B4C4_136_spg12
H8Rh3 CdHRh Rh
2023-06-29 20:04:50.571840
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708282).
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 agm005708282
data_agm005708282
_cell_length_a 3.06030
_cell_length_b 4.50199
_cell_length_c 9.95302
_cell_angle_alpha 76.94922
_cell_angle_beta 80.90420
_cell_angle_gamma 89.97095
_cell_volume 131.81707
_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 0.64221 0.13981 0.71713 1.00000
Cd2 Cd 0.35777 0.86022 0.28287 1.00000
Cd3 Cd 1.00000 0.00002 0.99998 1.00000
H1 H 0.54895 0.53942 0.90081 1.00000
H2 H 0.45101 0.46060 0.09920 1.00000
H3 H 0.81722 0.31884 0.37007 1.00000
H4 H 0.18277 0.68119 0.62993 1.00000
Rh1 Rh 0.08890 0.58673 0.82404 1.00000
Rh2 Rh 0.26866 0.26841 0.46397 1.00000
Rh3 Rh 0.73131 0.73160 0.53606 1.00000
Rh4 Rh 0.91107 0.41330 0.17595 1.00000
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