Ta4Ir
Alexandria ALEXAlex-ID: agm005407932 · 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
AB4_261_spg139
Ta3Ir Ta
2023-03-17 21:33:36.446283
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005407932).
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 agm005407932
data_agm005407932
_cell_length_a 7.76567
_cell_length_b 7.76567
_cell_length_c 7.76567
_cell_angle_alpha 153.06470
_cell_angle_beta 153.06470
_cell_angle_gamma 38.46049
_cell_volume 95.93728
_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 0.25000 0.75000 0.50000 1.00000
Ta2 Ta 0.58912 0.58912 0.00000 1.00000
Ta3 Ta 0.41088 0.41088 0.00000 1.00000
Ta4 Ta 0.75000 0.25000 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
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