Ti3Co2Rh
Alexandria ALEXAlex-ID: agm018404705 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_6546_spg2
Ti11Co9Rh4 Ti2Rh TiCo
2025-04-15 10:40:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018404705).
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 agm018404705
data_agm018404705
_cell_length_a 5.26123
_cell_length_b 8.55978
_cell_length_c 7.40375
_cell_angle_alpha 90.00000
_cell_angle_beta 89.83184
_cell_angle_gamma 90.00000
_cell_volume 333.42588
_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
Ti1 Ti 0.83656 0.13037 0.58616 1.00000
Ti2 Ti 0.16344 0.63037 0.91384 1.00000
Ti3 Ti 0.16010 0.12016 0.91934 1.00000
Ti4 Ti 0.83990 0.62016 0.58066 1.00000
Ti5 Ti 0.50265 0.12391 0.24341 1.00000
Ti6 Ti 0.49735 0.62391 0.25659 1.00000
Ti7 Ti 0.50265 0.37609 0.74341 1.00000
Ti8 Ti 0.49735 0.87609 0.75659 1.00000
Ti9 Ti 0.16010 0.37984 0.41934 1.00000
Ti10 Ti 0.83990 0.87984 0.08066 1.00000
Ti11 Ti 0.83656 0.36963 0.08616 1.00000
Ti12 Ti 0.16344 0.86963 0.41384 1.00000
Co1 Co 0.99884 0.37479 0.75280 1.00000
Co2 Co 0.00116 0.87479 0.74720 1.00000
Co3 Co 0.66858 0.37550 0.41416 1.00000
Co4 Co 0.33142 0.87550 0.08584 1.00000
Co5 Co 0.66858 0.12450 0.91416 1.00000
Co6 Co 0.33142 0.62450 0.58584 1.00000
Co7 Co 0.99884 0.12521 0.25280 1.00000
Co8 Co 0.00116 0.62521 0.24720 1.00000
Rh1 Rh 0.33233 0.37417 0.08138 1.00000
Rh2 Rh 0.66767 0.87417 0.41862 1.00000
Rh3 Rh 0.33233 0.12583 0.58138 1.00000
Rh4 Rh 0.66767 0.62583 0.91862 1.00000
