Rb2CdHg2
Alexandria ALEXAlex-ID: agm014377597 · 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
AB2C2_33_spg12
Rb3Hg5 Rb3Cd16 RbHg
2025-01-25 01:51:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014377597).
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 agm014377597
data_agm014377597
_cell_length_a 7.06438
_cell_length_b 7.06438
_cell_length_c 12.92435
_cell_angle_alpha 64.29662
_cell_angle_beta 115.70338
_cell_angle_gamma 135.89733
_cell_volume 396.70304
_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 0.69787 0.30213 0.11365 1.00000
Rb2 Rb 0.49852 0.50148 0.66553 1.00000
Rb3 Rb 0.30213 0.69787 0.88635 1.00000
Rb4 Rb 0.50148 0.49852 0.33447 1.00000
Cd1 Cd 0.21792 0.78208 0.35958 1.00000
Cd2 Cd 0.78208 0.21792 0.64042 1.00000
Hg1 Hg 0.00399 0.99601 0.88312 1.00000
Hg2 Hg 0.85002 0.14998 0.43954 1.00000
Hg3 Hg 0.99601 0.00399 0.11688 1.00000
Hg4 Hg 0.14998 0.85002 0.56046 1.00000
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