MgZr2Rh3
Alexandria ALEXAlex-ID: agm034786593 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_4629_spg15
MgZrRh2 ZrRh
2025-04-15 07:26:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034786593).
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 agm034786593
data_agm034786593
_cell_length_a 7.23482
_cell_length_b 7.23482
_cell_length_c 8.10990
_cell_angle_alpha 92.13396
_cell_angle_beta 87.86604
_cell_angle_gamma 102.68044
_cell_volume 413.66861
_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
Mg1 Mg 0.19963 0.03906 0.41442 1.00000
Mg2 Mg 0.80037 0.96094 0.58558 1.00000
Mg3 Mg 0.96094 0.80037 0.91442 1.00000
Mg4 Mg 0.03906 0.19963 0.08558 1.00000
Zr1 Zr 0.12354 0.62619 0.24199 1.00000
Zr2 Zr 0.71261 0.55459 0.42193 1.00000
Zr3 Zr 0.28739 0.44541 0.57807 1.00000
Zr4 Zr 0.87646 0.37381 0.75801 1.00000
Zr5 Zr 0.37381 0.87646 0.74199 1.00000
Zr6 Zr 0.44541 0.28739 0.92193 1.00000
Zr7 Zr 0.55459 0.71261 0.07807 1.00000
Zr8 Zr 0.62619 0.12354 0.25801 1.00000
Rh1 Rh 0.95539 0.30150 0.41643 1.00000
Rh2 Rh 0.45283 0.78571 0.41248 1.00000
Rh3 Rh 0.04461 0.69850 0.58357 1.00000
Rh4 Rh 0.54717 0.21429 0.58752 1.00000
Rh5 Rh 0.12945 0.12945 0.75000 1.00000
Rh6 Rh 0.61976 0.61976 0.75000 1.00000
Rh7 Rh 0.69850 0.04461 0.91643 1.00000
Rh8 Rh 0.21429 0.54717 0.91248 1.00000
Rh9 Rh 0.30150 0.95539 0.08357 1.00000
Rh10 Rh 0.78571 0.45283 0.08752 1.00000
Rh11 Rh 0.87055 0.87055 0.25000 1.00000
Rh12 Rh 0.38024 0.38024 0.25000 1.00000
