CsNaRh
Alexandria ALEXAlex-ID: agm002109902 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_2015_spg1
Cs Na Rh
2021-11-11 14:10:24.681402
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002109902).
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 agm002109902
data_agm002109902
_cell_length_a 4.48235
_cell_length_b 5.59149
_cell_length_c 11.00633
_cell_angle_alpha 75.06928
_cell_angle_beta 86.24624
_cell_angle_gamma 75.42711
_cell_volume 257.96351
_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
Cs1 Cs 0.57597 0.79310 0.40738 1.00000
Cs2 Cs 0.07639 0.49100 0.00340 1.00000
Na1 Na 0.91752 0.14579 0.61278 1.00000
Na2 Na 0.41744 0.05178 0.79761 1.00000
Rh1 Rh 0.14529 0.58929 0.66264 1.00000
Rh2 Rh 0.64524 0.54585 0.74816 1.00000
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