Ta3NbTc4
Alexandria ALEXAlex-ID: agm047016983 · 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
AB3C4_344_spg139
Ta5NbTc6 TaNb5Tc6
2024-10-27 05:28:36.055811
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047016983).
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 agm047016983
data_agm047016983
_cell_length_a 7.13542
_cell_length_b 7.13542
_cell_length_c 7.13542
_cell_angle_alpha 143.17350
_cell_angle_beta 143.17350
_cell_angle_gamma 53.06501
_cell_volume 129.71781
_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 0.50000 0.50000 0.00000 1.00000
Ta2 Ta 0.25034 0.25034 0.00000 1.00000
Ta3 Ta 0.74966 0.74966 0.00000 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.87476 0.37476 0.50000 1.00000
Tc2 Tc 0.12524 0.62524 0.50000 1.00000
Tc3 Tc 0.62524 0.12524 0.50000 1.00000
Tc4 Tc 0.37476 0.87476 0.50000 1.00000
