NdAsRh
Alexandria ALEXAlex-ID: agm002136388 · 空间群: I4_1md (#109)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_13_spg8
NdAsRh2 NdAs
2018-05-22 11:07:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002136388).
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
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# CIF generated by HEAS from Alexandria entry agm002136388
data_agm002136388
_cell_length_a 4.15043
_cell_length_b 4.15043
_cell_length_c 8.04382
_cell_angle_alpha 104.91325
_cell_angle_beta 104.91325
_cell_angle_gamma 90.01079
_cell_volume 129.05822
_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
Rh1 Rh 0.16490 0.16465 0.32936 1.00000
Rh2 Rh 0.91465 0.41490 0.82936 1.00000
As1 As 0.75044 0.25019 0.50089 1.00000
As2 As 0.00019 0.00044 0.00089 1.00000
Nd1 Nd 0.33092 0.83073 0.66157 1.00000
Nd2 Nd 0.58073 0.58092 0.16157 1.00000
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