TbNb2AgN4
Alexandria ALEXAlex-ID: agm034130057 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_950_spg10
Tb(NbN2)2 Ag
2024-10-14 21:45:06.393296
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034130057).
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 agm034130057
data_agm034130057
_cell_length_a 3.21906
_cell_length_b 5.45039
_cell_length_c 5.97221
_cell_angle_alpha 73.02698
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 100.21891
_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 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.50000 0.00000 0.50000 1.00000
Nb2 Nb 0.00000 0.50000 0.50000 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
N1 N 0.50000 0.25675 0.72260 1.00000
N2 N 0.50000 0.74325 0.27740 1.00000
N3 N 0.00000 0.22165 0.30222 1.00000
N4 N 0.00000 0.77835 0.69778 1.00000
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