Tb4CN2
Alexandria ALEXAlex-ID: agm005886355 · 空间群: P4_122 (#91)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_472_spg91
Tb2C TbN
2023-09-05 14:53:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005886355).
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 agm005886355
data_agm005886355
_cell_length_a 7.19336
_cell_length_b 7.19336
_cell_length_c 10.18906
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 527.22721
_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
C1 C 0.00000 0.74154 0.50000 1.00000
C2 C 0.25846 0.00000 0.75000 1.00000
C3 C 0.74154 0.00000 0.25000 1.00000
C4 C 0.00000 0.25846 0.00000 1.00000
Tb1 Tb 0.25347 0.98165 0.50518 1.00000
Tb2 Tb 0.74653 0.98165 0.49482 1.00000
Tb3 Tb 0.01835 0.25347 0.75518 1.00000
Tb4 Tb 0.74653 0.01835 0.00518 1.00000
Tb5 Tb 0.25379 0.49094 0.99070 1.00000
Tb6 Tb 0.50906 0.25379 0.24070 1.00000
Tb7 Tb 0.49094 0.74621 0.74070 1.00000
Tb8 Tb 0.25379 0.50906 0.50930 1.00000
Tb9 Tb 0.74621 0.49094 0.00930 1.00000
Tb10 Tb 0.74621 0.50906 0.49070 1.00000
Tb11 Tb 0.49094 0.25379 0.75930 1.00000
Tb12 Tb 0.50906 0.74621 0.25930 1.00000
Tb13 Tb 0.98165 0.25347 0.24482 1.00000
Tb14 Tb 0.25347 0.01835 0.99482 1.00000
Tb15 Tb 0.98165 0.74653 0.25518 1.00000
Tb16 Tb 0.01835 0.74653 0.74482 1.00000
N1 N 0.75116 0.75116 0.87500 1.00000
N2 N 0.24884 0.75116 0.12500 1.00000
N3 N 0.75116 0.24884 0.62500 1.00000
N4 N 0.24884 0.24884 0.37500 1.00000
N5 N 0.74285 0.50000 0.25000 1.00000
N6 N 0.50000 0.25715 0.00000 1.00000
N7 N 0.50000 0.74285 0.50000 1.00000
N8 N 0.25715 0.50000 0.75000 1.00000
