Ta7Re2
Alexandria ALEXAlex-ID: agm017354338 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7_128_spg12
Ta4Re Ta2Re
2025-01-25 07:53:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017354338).
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 agm017354338
data_agm017354338
_cell_length_a 5.45115
_cell_length_b 5.45115
_cell_length_c 9.86031
_cell_angle_alpha 71.76802
_cell_angle_beta 108.23198
_cell_angle_gamma 145.65946
_cell_volume 156.17092
_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
Ta2 Ta 0.67254 0.32746 0.88652 1.00000
Ta3 Ta 0.32746 0.67254 0.11348 1.00000
Ta4 Ta 0.32951 0.67049 0.43709 1.00000
Ta5 Ta 0.99473 0.00527 0.66963 1.00000
Ta6 Ta 0.00527 0.99473 0.33037 1.00000
Ta7 Ta 0.67049 0.32951 0.56291 1.00000
Re1 Re 0.33537 0.66463 0.77979 1.00000
Re2 Re 0.66463 0.33537 0.22021 1.00000
