Nd2As2Rh
Alexandria ALEXAlex-ID: agm003403554 · 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
AB2C2_43_spg12
NdAsRh2 NdAs
2022-02-09 18:44:53.266571
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403554).
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 agm003403554
data_agm003403554
_cell_length_a 4.25045
_cell_length_b 5.91893
_cell_length_c 10.19108
_cell_angle_alpha 80.54547
_cell_angle_beta 77.96333
_cell_angle_gamma 68.95779
_cell_volume 232.90536
_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
Nd1 Nd 0.69255 0.25952 0.35539 1.00000
Nd2 Nd 0.91961 0.27113 0.88965 1.00000
Nd3 Nd 0.30745 0.74048 0.64461 1.00000
Nd4 Nd 0.08039 0.72887 0.11035 1.00000
As1 As 0.06347 0.29495 0.57811 1.00000
As2 As 0.66061 0.81289 0.86590 1.00000
As3 As 0.93653 0.70505 0.42189 1.00000
As4 As 0.33939 0.18711 0.13410 1.00000
Rh1 Rh 0.56695 0.17947 0.68664 1.00000
Rh2 Rh 0.43305 0.82053 0.31336 1.00000
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