RbRePd
Alexandria ALEXAlex-ID: agm003134751 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_431_spg11
Rb2Pd3 Re3Pd Rb
2015-05-08 08:04:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003134751).
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 agm003134751
data_agm003134751
_cell_length_a 3.53384
_cell_length_b 4.65235
_cell_length_c 11.60418
_cell_angle_alpha 95.94378
_cell_angle_beta 88.84173
_cell_angle_gamma 90.14674
_cell_volume 189.71574
_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
Re1 Re 0.70840 0.88649 0.67270 1.00000
Re2 Re 0.20776 0.22975 0.69788 1.00000
Pd1 Pd 0.71880 0.40133 0.54593 1.00000
Pd2 Pd 0.19751 0.71489 0.82465 1.00000
Rb1 Rb 0.68744 0.25264 0.99334 1.00000
Rb2 Rb 0.22950 0.86336 0.37724 1.00000
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