Ta(NbB2)2
Alexandria ALEXAlex-ID: agm044561265 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_169_spg71
Ta2NbB4 Nb3B4
2025-04-17 14:02:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044561265).
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 agm044561265
data_agm044561265
_cell_length_a 7.42524
_cell_length_b 7.42524
_cell_length_c 7.42524
_cell_angle_alpha 155.46316
_cell_angle_beta 154.21060
_cell_angle_gamma 35.89491
_cell_volume 73.87308
_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
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.81525 0.31525 0.50000 1.00000
Nb2 Nb 0.18475 0.68475 0.50000 1.00000
B1 B 0.63169 0.13169 0.50000 1.00000
B2 B 0.36831 0.86831 0.50000 1.00000
B3 B 0.56386 0.56386 0.00000 1.00000
B4 B 0.43614 0.43614 0.00000 1.00000
获取直接链接