TcIrRu3
Alexandria ALEXAlex-ID: agm005772014 · 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
ABC3_5362_spg11
TcIr Ru
2023-07-06 01:25:09.016235
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772014).
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 agm005772014
data_agm005772014
_cell_length_a 3.83976
_cell_length_b 6.07879
_cell_length_c 6.07419
_cell_angle_alpha 90.10774
_cell_angle_beta 90.00002
_cell_angle_gamma 90.00001
_cell_volume 141.77797
_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
Tc1 Tc 0.62438 0.39794 0.37697 1.00000
Tc2 Tc 0.12437 0.70052 0.27025 1.00000
Ir1 Ir 0.62438 0.20242 0.77305 1.00000
Ir2 Ir 0.12438 0.89604 0.87418 1.00000
Ru1 Ru 0.62438 0.79868 0.56915 1.00000
Ru2 Ru 0.62438 0.99520 0.17632 1.00000
Ru3 Ru 0.12437 0.50167 0.67037 1.00000
Ru4 Ru 0.12437 0.29978 0.07808 1.00000
Ru5 Ru 0.12437 0.10325 0.47090 1.00000
Ru6 Ru 0.62438 0.59679 0.97685 1.00000
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