TbCe(NdAs2)2
Alexandria ALEXAlex-ID: agm017002415 · 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
ABC2D4_41_spg42
CeNd2As3 Tb5CeAs6 CeNd5As6
2025-07-01 15:57:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017002415).
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 agm017002415
data_agm017002415
_cell_length_a 5.97879
_cell_length_b 5.97879
_cell_length_c 7.32133
_cell_angle_alpha 65.89572
_cell_angle_beta 114.10428
_cell_angle_gamma 89.99704
_cell_volume 213.64119
_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
Tb1 Tb 0.50000 0.50000 0.00000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.24989 0.24989 0.50000 1.00000
Nd2 Nd 0.75011 0.75011 0.50000 1.00000
As1 As 0.50000 0.00000 0.00000 1.00000
As2 As 0.00000 0.50000 0.00000 1.00000
As3 As 0.75025 0.24975 0.50068 1.00000
As4 As 0.24975 0.75025 0.49932 1.00000
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