AcZn2Rh
Alexandria ALEXAlex-ID: agm005654902 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_547_spg62
AcZn2Rh
2023-07-13 20:44:06.248824
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654902).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005654902
data_agm005654902
_cell_length_a 5.82131
_cell_length_b 7.49909
_cell_length_c 15.55279
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 678.94929
_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 0.45914 0.25000 0.13926 1.00000
Ac2 Ac 0.95914 0.75000 0.36074 1.00000
Ac3 Ac 0.54086 0.75000 0.86074 1.00000
Ac4 Ac 0.04086 0.25000 0.63926 1.00000
Ac5 Ac 0.76284 0.25000 0.40117 1.00000
Ac6 Ac 0.26284 0.75000 0.09883 1.00000
Ac7 Ac 0.23716 0.75000 0.59883 1.00000
Ac8 Ac 0.73716 0.25000 0.90117 1.00000
Zn1 Zn 0.93711 0.05051 0.20545 1.00000
Zn2 Zn 0.43711 0.94949 0.29455 1.00000
Zn3 Zn 0.06289 0.55051 0.79455 1.00000
Zn4 Zn 0.56289 0.44949 0.70545 1.00000
Zn5 Zn 0.06289 0.94949 0.79455 1.00000
Zn6 Zn 0.56289 0.05051 0.70545 1.00000
Zn7 Zn 0.93711 0.44949 0.20545 1.00000
Zn8 Zn 0.43711 0.55051 0.29455 1.00000
Zn9 Zn 0.77946 0.56497 0.04896 1.00000
Zn10 Zn 0.27946 0.43503 0.45104 1.00000
Zn11 Zn 0.22054 0.06497 0.95104 1.00000
Zn12 Zn 0.72054 0.93503 0.54896 1.00000
Zn13 Zn 0.22054 0.43503 0.95104 1.00000
Zn14 Zn 0.72054 0.56497 0.54896 1.00000
Zn15 Zn 0.77946 0.93503 0.04896 1.00000
Zn16 Zn 0.27946 0.06497 0.45104 1.00000
Rh1 Rh 0.19385 0.25000 0.30451 1.00000
Rh2 Rh 0.69385 0.75000 0.19549 1.00000
Rh3 Rh 0.80615 0.75000 0.69549 1.00000
Rh4 Rh 0.30615 0.25000 0.80451 1.00000
Rh5 Rh 0.99559 0.25000 0.06844 1.00000
Rh6 Rh 0.49559 0.75000 0.43156 1.00000
Rh7 Rh 0.00441 0.75000 0.93156 1.00000
Rh8 Rh 0.50441 0.25000 0.56844 1.00000
