Rb2Na5Cd
Alexandria ALEXAlex-ID: agm005987285 · 空间群: Fmm2 (#42)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_413_spg107
Na6Cd7 Rb Na
2023-09-09 10:52:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005987285).
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 agm005987285
data_agm005987285
_cell_length_a 8.12805
_cell_length_b 8.81125
_cell_length_c 8.81126
_cell_angle_alpha 85.21108
_cell_angle_beta 125.96432
_cell_angle_gamma 125.96421
_cell_volume 379.06006
_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 0.50000 0.77472 0.27471 1.00000
Rb2 Rb 0.50000 0.27470 0.77472 1.00000
Na1 Na 1.00000 0.76795 0.29531 1.00000
Na2 Na 0.39155 0.23793 0.23793 1.00000
Na3 Na 0.60845 0.84636 0.84636 1.00000
Na4 Na 0.00000 0.29532 0.76796 1.00000
Na5 Na 0.99999 0.37396 0.37397 1.00000
Cd1 Cd 0.00000 0.65205 0.65205 1.00000
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