Ac6PtRh2N
Alexandria ALEXAlex-ID: agm004956502 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
Ac2Rh Ac4Pt3 Ac8PtRh4 AcN
2022-07-29 03:53:51.173483
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004956502).
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 agm004956502
data_agm004956502
_cell_length_a 7.33458
_cell_length_b 7.33451
_cell_length_c 8.04039
_cell_angle_alpha 62.82288
_cell_angle_beta 62.88006
_cell_angle_gamma 60.04920
_cell_volume 318.50299
_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 0.57046 0.23941 0.24197 1.00000
Ac2 Ac 0.23932 0.94830 0.24217 1.00000
Ac3 Ac 0.94800 0.57028 0.24209 1.00000
Ac4 Ac 0.41276 0.71512 0.76190 1.00000
Ac5 Ac 0.71652 0.10966 0.76072 1.00000
Ac6 Ac 0.11058 0.41246 0.76109 1.00000
Pt1 Pt 0.82694 0.82661 0.51957 1.00000
Rh1 Rh 0.51141 0.51165 0.46472 1.00000
Rh2 Rh 0.00281 0.00280 0.99181 1.00000
N1 N 0.32282 0.32533 0.02916 1.00000
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