Tc4RuRh
Alexandria ALEXAlex-ID: agm005751803 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1427_spg12
TcRu Tc3Rh
2023-07-31 12:34:55.408273
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751803).
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 agm005751803
data_agm005751803
_cell_length_a 4.31720
_cell_length_b 13.85642
_cell_length_c 6.93163
_cell_angle_alpha 143.64983
_cell_angle_beta 71.84641
_cell_angle_gamma 128.55681
_cell_volume 175.22183
_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 0.23699 0.86543 0.99052 1.00000
Tc2 Tc 0.75354 0.62509 0.99052 1.00000
Tc3 Tc 0.16826 0.66748 0.33338 1.00000
Tc4 Tc 0.83174 0.33252 0.66662 1.00000
Tc5 Tc 0.83487 0.83409 0.66662 1.00000
Tc6 Tc 0.24646 0.37491 0.00948 1.00000
Tc7 Tc 0.16513 0.16591 0.33338 1.00000
Tc8 Tc 0.76301 0.13457 0.00948 1.00000
Ru1 Ru 0.33082 0.58082 0.66165 1.00000
Ru2 Ru 0.66918 0.41918 0.33835 1.00000
Rh1 Rh 0.33606 0.08606 0.67213 1.00000
Rh2 Rh 0.66394 0.91394 0.32787 1.00000
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