Pa8ZnRh4
Alexandria ALEXAlex-ID: agm097546653 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_426_spg2
PaZnRh Pa PaRh
2025-06-22 20:28:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097546653).
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 agm097546653
data_agm097546653
_cell_length_a 3.48143
_cell_length_b 9.32475
_cell_length_c 9.15289
_cell_angle_alpha 72.14484
_cell_angle_beta 83.60072
_cell_angle_gamma 86.41316
_cell_volume 280.93386
_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
Pa1 Pa 0.34080 0.18913 0.21961 1.00000
Pa2 Pa 0.34062 0.60286 0.13076 1.00000
Pa3 Pa 0.40714 0.70477 0.67973 1.00000
Pa4 Pa 0.27205 0.10096 0.64539 1.00000
Pa5 Pa 0.79650 0.77746 0.30987 1.00000
Pa6 Pa 0.77253 0.35397 0.38304 1.00000
Pa7 Pa 0.52080 0.36369 0.77867 1.00000
Pa8 Pa 0.88863 0.83595 0.85011 1.00000
Zn1 Zn 0.35450 0.95313 0.04358 1.00000
Rh1 Rh 0.86959 0.16254 0.98499 1.00000
Rh2 Rh 0.90643 0.47096 0.98440 1.00000
Rh3 Rh 0.16306 0.51648 0.51723 1.00000
Rh4 Rh 0.86736 0.96809 0.47263 1.00000
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