Rb3(SbPd)4
Alexandria ALEXAlex-ID: agm009050752 · 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
A3B4C4_368_spg12
Rb2Sb2Pd RbSb2Pd3
2024-03-07 14:11:33.887503
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009050752).
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 agm009050752
data_agm009050752
_cell_length_a 13.23257
_cell_length_b 13.23257
_cell_length_c 5.42587
_cell_angle_alpha 81.40526
_cell_angle_beta 81.40526
_cell_angle_gamma 19.87417
_cell_volume 319.24425
_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 0.35555 0.35555 0.61224 1.00000
Rb2 Rb 0.64445 0.64445 0.38776 1.00000
Rb3 Rb 0.00000 0.00000 0.50000 1.00000
Sb1 Sb 0.78822 0.78822 0.13635 1.00000
Sb2 Sb 0.44481 0.44481 0.04877 1.00000
Sb3 Sb 0.55519 0.55519 0.95123 1.00000
Sb4 Sb 0.21178 0.21178 0.86365 1.00000
Pd1 Pd 0.24753 0.24753 0.33367 1.00000
Pd2 Pd 0.10664 0.10664 0.92859 1.00000
Pd3 Pd 0.89336 0.89336 0.07141 1.00000
Pd4 Pd 0.75247 0.75247 0.66633 1.00000
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