AcLa2(NdRh)2
Alexandria ALEXAlex-ID: agm023219084 · 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
AB2C2D2_58_spg2
Ac2Rh Nd3Rh La7Rh3 Nd
2025-05-22 10:52:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023219084).
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 agm023219084
data_agm023219084
_cell_length_a 6.68215
_cell_length_b 6.68215
_cell_length_c 9.47607
_cell_angle_alpha 66.21898
_cell_angle_beta 113.78102
_cell_angle_gamma 145.33667
_cell_volume 218.12469
_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 0.00000 0.00000 0.50000 1.00000
La1 La 0.32923 0.67077 0.69979 1.00000
La2 La 0.67077 0.32923 0.30021 1.00000
Nd1 Nd 0.88149 0.11851 0.07301 1.00000
Nd2 Nd 0.11851 0.88149 0.92699 1.00000
Rh1 Rh 0.31479 0.68521 0.24905 1.00000
Rh2 Rh 0.68521 0.31479 0.75095 1.00000
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