TaNb5
Alexandria ALEXAlex-ID: agm078568366 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_1841_spg11
TaNb5
2025-01-09 18:24:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078568366).
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 agm078568366
data_agm078568366
_cell_length_a 8.42985
_cell_length_b 4.73959
_cell_length_c 11.56348
_cell_angle_alpha 90.00000
_cell_angle_beta 108.94883
_cell_angle_gamma 90.00000
_cell_volume 436.97102
_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 0.58251 0.25000 0.18793 1.00000
Ta2 Ta 0.41749 0.75000 0.81207 1.00000
Ta3 Ta 0.08419 0.75000 0.31351 1.00000
Ta4 Ta 0.91581 0.25000 0.68649 1.00000
Nb1 Nb 0.91662 0.25000 0.18681 1.00000
Nb2 Nb 0.58501 0.25000 0.43930 1.00000
Nb3 Nb 0.41499 0.75000 0.56070 1.00000
Nb4 Nb 0.08338 0.75000 0.81319 1.00000
Nb5 Nb 0.41548 0.75000 0.06193 1.00000
Nb6 Nb 0.08274 0.75000 0.56472 1.00000
Nb7 Nb 0.91726 0.25000 0.43528 1.00000
Nb8 Nb 0.58452 0.25000 0.93807 1.00000
Nb9 Nb 0.25112 0.25000 0.93685 1.00000
Nb10 Nb 0.25050 0.25000 0.43756 1.00000
Nb11 Nb 0.74950 0.75000 0.56244 1.00000
Nb12 Nb 0.74888 0.75000 0.06315 1.00000
Nb13 Nb 0.91696 0.25000 0.93708 1.00000
Nb14 Nb 0.58119 0.25000 0.68900 1.00000
Nb15 Nb 0.41881 0.75000 0.31100 1.00000
Nb16 Nb 0.08304 0.75000 0.06292 1.00000
Nb17 Nb 0.24839 0.25000 0.18840 1.00000
Nb18 Nb 0.75161 0.75000 0.81160 1.00000
Nb19 Nb 0.74978 0.75000 0.31270 1.00000
Nb20 Nb 0.25022 0.25000 0.68730 1.00000
