AcZnRh
Alexandria ALEXAlex-ID: agm070557697 · 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
ABC_222_spg69
AcZnRh
2024-08-18 13:34:32.946961
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070557697).
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 agm070557697
data_agm070557697
_cell_length_a 5.86778
_cell_length_b 5.86778
_cell_length_c 7.44947
_cell_angle_alpha 58.70188
_cell_angle_beta 58.70188
_cell_angle_gamma 40.77703
_cell_volume 139.43853
_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 0.56422 0.56422 0.19189 1.00000
Ac2 Ac 0.43578 0.43578 0.80811 1.00000
Zn1 Zn 0.79746 0.79746 0.57851 1.00000
Zn2 Zn 0.20254 0.20254 0.42149 1.00000
Rh1 Rh 0.15322 0.15322 0.81911 1.00000
Rh2 Rh 0.84678 0.84678 0.18089 1.00000
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