Ac3P4Rh7
Alexandria ALEXAlex-ID: agm005705307 · 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
A3B4C7_33_spg12
AcPRh PRh2 AcPRh3
2023-06-29 17:21:47.607545
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705307).
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 agm005705307
data_agm005705307
_cell_length_a 4.02821
_cell_length_b 8.38952
_cell_length_c 8.37530
_cell_angle_alpha 75.83369
_cell_angle_beta 76.08502
_cell_angle_gamma 76.10909
_cell_volume 261.39512
_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
Ac1 Ac 0.31884 0.17916 0.18316 1.00000
Ac2 Ac 0.68116 0.82084 0.81684 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
P1 P 0.65410 0.49435 0.19745 1.00000
P2 P 0.34590 0.50565 0.80255 1.00000
P3 P 0.89090 0.88543 0.33277 1.00000
P4 P 0.10910 0.11457 0.66723 1.00000
Rh1 Rh 0.30010 0.88357 0.51624 1.00000
Rh2 Rh 0.49669 0.22478 0.78183 1.00000
Rh3 Rh 0.82798 0.41146 0.93257 1.00000
Rh4 Rh 0.69990 0.11643 0.48376 1.00000
Rh5 Rh 0.17202 0.58854 0.06743 1.00000
Rh6 Rh 0.00000 0.00000 0.00000 1.00000
Rh7 Rh 0.50331 0.77522 0.21817 1.00000
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