Pr2Nd2CuRh4
Alexandria ALEXAlex-ID: agm004567982 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_166_spg139
Nd2CuRh2 PrRh
2022-06-19 12:40:26.474683
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004567982).
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 agm004567982
data_agm004567982
_cell_length_a 6.44222
_cell_length_b 6.44222
_cell_length_c 6.44222
_cell_angle_alpha 98.92882
_cell_angle_beta 114.98597
_cell_angle_gamma 114.98597
_cell_volume 200.73681
_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
Pr1 Pr 0.50000 0.75000 0.25000 1.00000
Pr2 Pr 0.50000 0.25000 0.75000 1.00000
Nd1 Nd 0.00000 0.69459 0.69459 1.00000
Nd2 Nd 1.00000 0.30541 0.30541 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.00000 0.74123 0.25877 1.00000
Rh2 Rh 0.48246 0.74123 0.74123 1.00000
Rh3 Rh 0.00000 0.25877 0.74123 1.00000
Rh4 Rh 0.51754 0.25877 0.25877 1.00000
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