TbN4
Alexandria ALEXAlex-ID: agm005544599 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_717_spg44
TbN6 TbN
2023-05-29 02:55:01.719491
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005544599).
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 agm005544599
data_agm005544599
_cell_length_a 4.61903
_cell_length_b 8.98473
_cell_length_c 8.23426
_cell_angle_alpha 130.19341
_cell_angle_beta 92.80018
_cell_angle_gamma 126.31874
_cell_volume 150.11649
_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 0.51534 0.02997 0.61481 1.00000
Tb2 Tb 0.01522 0.03041 0.11506 1.00000
N1 N 0.66745 0.64008 0.61981 1.00000
N2 N 0.19978 0.09434 0.44741 1.00000
N3 N 0.16773 0.63957 0.11960 1.00000
N4 N 0.07361 0.09377 0.57218 1.00000
N5 N 0.57284 0.09375 0.07217 1.00000
N6 N 0.29459 0.64169 0.99568 1.00000
N7 N 0.69894 0.09423 0.94733 1.00000
N8 N 0.79452 0.64222 0.49596 1.00000
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