RbNbCd
Alexandria ALEXAlex-ID: agm003134530 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_185_spg129
Rb2Cd3 Rb Nb
2015-07-04 22:17:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003134530).
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 agm003134530
data_agm003134530
_cell_length_a 14.94387
_cell_length_b 3.56244
_cell_length_c 3.56239
_cell_angle_alpha 90.00006
_cell_angle_beta 89.62925
_cell_angle_gamma 90.13548
_cell_volume 189.64530
_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
Nb1 Nb 0.45958 0.74959 0.25115 1.00000
Nb2 Nb 0.54042 0.25041 0.74885 1.00000
Rb1 Rb 0.15137 0.74622 0.25963 1.00000
Rb2 Rb 0.84863 0.25378 0.74037 1.00000
Cd1 Cd 0.33875 0.24837 0.75464 1.00000
Cd2 Cd 0.66125 0.75163 0.24536 1.00000
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