MgTi3Co2
Alexandria ALEXAlex-ID: agm034388280 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_315_spg62
Ti5Co3 TiCo Mg
2025-04-14 04:35:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034388280).
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 agm034388280
data_agm034388280
_cell_length_a 3.18236
_cell_length_b 10.48509
_cell_length_c 11.23539
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 374.89488
_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
Mg1 Mg 0.75000 0.55663 0.09507 1.00000
Mg2 Mg 0.25000 0.44337 0.90493 1.00000
Mg3 Mg 0.25000 0.05663 0.40493 1.00000
Mg4 Mg 0.75000 0.94337 0.59507 1.00000
Ti1 Ti 0.75000 0.88565 0.01641 1.00000
Ti2 Ti 0.25000 0.11435 0.98359 1.00000
Ti3 Ti 0.25000 0.38565 0.48359 1.00000
Ti4 Ti 0.75000 0.61435 0.51641 1.00000
Ti5 Ti 0.75000 0.10138 0.19627 1.00000
Ti6 Ti 0.25000 0.89862 0.80373 1.00000
Ti7 Ti 0.25000 0.60138 0.30373 1.00000
Ti8 Ti 0.75000 0.39862 0.69627 1.00000
Ti9 Ti 0.75000 0.82935 0.33443 1.00000
Ti10 Ti 0.25000 0.17065 0.66557 1.00000
Ti11 Ti 0.25000 0.32935 0.16557 1.00000
Ti12 Ti 0.75000 0.67065 0.83443 1.00000
Co1 Co 0.75000 0.21661 0.50814 1.00000
Co2 Co 0.25000 0.78339 0.49186 1.00000
Co3 Co 0.25000 0.71661 0.99186 1.00000
Co4 Co 0.75000 0.28339 0.00814 1.00000
Co5 Co 0.75000 0.42773 0.31735 1.00000
Co6 Co 0.25000 0.57227 0.68265 1.00000
Co7 Co 0.25000 0.92773 0.18265 1.00000
Co8 Co 0.75000 0.07227 0.81735 1.00000
