Ti11Mn9Co4
Alexandria ALEXAlex-ID: agm034245989 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B9C11_2_spg15
Ti2MnCo Ti4Mn3Co TiMn2
2025-03-09 10:09:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034245989).
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 agm034245989
data_agm034245989
_cell_length_a 7.23066
_cell_length_b 7.23066
_cell_length_c 13.86769
_cell_angle_alpha 85.06872
_cell_angle_beta 94.93128
_cell_angle_gamma 59.95257
_cell_volume 618.24244
_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 0.50000 0.00000 0.00000 1.00000
Ti2 Ti 0.00000 0.50000 0.50000 1.00000
Ti3 Ti 0.74995 0.74995 0.75000 1.00000
Ti4 Ti 0.25005 0.25005 0.25000 1.00000
Ti5 Ti 0.41678 0.41678 0.75000 1.00000
Ti6 Ti 0.58322 0.58322 0.25000 1.00000
Ti7 Ti 0.66828 0.16580 0.49990 1.00000
Ti8 Ti 0.16580 0.66828 0.00010 1.00000
Ti9 Ti 0.33172 0.83420 0.50010 1.00000
Ti10 Ti 0.83420 0.33172 0.99990 1.00000
Ti11 Ti 0.71859 0.44792 0.62883 1.00000
Ti12 Ti 0.44792 0.71859 0.87117 1.00000
Ti13 Ti 0.28141 0.55208 0.37117 1.00000
Ti14 Ti 0.55208 0.28141 0.12883 1.00000
Ti15 Ti 0.36722 0.12370 0.62906 1.00000
Ti16 Ti 0.12370 0.36722 0.87094 1.00000
Ti17 Ti 0.63278 0.87630 0.37094 1.00000
Ti18 Ti 0.87630 0.63278 0.12906 1.00000
Ti19 Ti 0.04241 0.79903 0.62782 1.00000
Ti20 Ti 0.79903 0.04241 0.87218 1.00000
Ti21 Ti 0.95759 0.20097 0.37218 1.00000
Ti22 Ti 0.20097 0.95759 0.12782 1.00000
Mn1 Mn 0.08235 0.08235 0.75000 1.00000
Mn2 Mn 0.91765 0.91765 0.25000 1.00000
Mn3 Mn 0.06256 0.43480 0.68758 1.00000
Mn4 Mn 0.43480 0.06256 0.81242 1.00000
Mn5 Mn 0.93744 0.56520 0.31242 1.00000
Mn6 Mn 0.56520 0.93744 0.18758 1.00000
Mn7 Mn 0.73227 0.10442 0.68776 1.00000
Mn8 Mn 0.10442 0.73227 0.81224 1.00000
Mn9 Mn 0.26773 0.89558 0.31224 1.00000
Mn10 Mn 0.89558 0.26773 0.18776 1.00000
Mn11 Mn 0.39310 0.77393 0.68767 1.00000
Mn12 Mn 0.77393 0.39310 0.81233 1.00000
Mn13 Mn 0.60690 0.22607 0.31233 1.00000
Mn14 Mn 0.22607 0.60690 0.18767 1.00000
Mn15 Mn 0.85479 0.97855 0.06401 1.00000
Mn16 Mn 0.97855 0.85479 0.43599 1.00000
Mn17 Mn 0.14521 0.02145 0.93599 1.00000
Mn18 Mn 0.02145 0.14521 0.56401 1.00000
Co1 Co 0.18763 0.31282 0.06208 1.00000
Co2 Co 0.31282 0.18763 0.43792 1.00000
Co3 Co 0.81237 0.68718 0.93792 1.00000
Co4 Co 0.68718 0.81237 0.56208 1.00000
Co5 Co 0.47911 0.35406 0.93790 1.00000
Co6 Co 0.35406 0.47911 0.56210 1.00000
Co7 Co 0.52089 0.64594 0.06210 1.00000
Co8 Co 0.64594 0.52089 0.43790 1.00000
