Tm2Mn15Fe2C3
Alexandria ALEXAlex-ID: agm009201726 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3D15_5_spg8
Tm2Fe14C TmFe3 Tm10Mn13C18 Mn
2024-03-10 05:41:43.624682
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009201726).
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 agm009201726
data_agm009201726
_cell_length_a 6.42975
_cell_length_b 6.42975
_cell_length_c 6.43103
_cell_angle_alpha 82.90109
_cell_angle_beta 82.90109
_cell_angle_gamma 82.97072
_cell_volume 260.25605
_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
Tm1 Tm 0.34901 0.34901 0.34894 1.00000
Tm2 Tm 0.65246 0.65246 0.65160 1.00000
Mn1 Mn 0.71939 0.99916 0.28030 1.00000
Mn2 Mn 0.27901 0.72028 0.99935 1.00000
Mn3 Mn 0.99892 0.27933 0.72025 1.00000
Mn4 Mn 0.72028 0.27901 0.99935 1.00000
Mn5 Mn 0.99916 0.71939 0.28030 1.00000
Mn6 Mn 0.27933 0.99892 0.72025 1.00000
Mn7 Mn 0.00022 0.50109 0.99986 1.00000
Mn8 Mn 0.99923 0.99923 0.50255 1.00000
Mn9 Mn 0.50109 0.00022 0.99986 1.00000
Mn10 Mn 0.09433 0.09433 0.09532 1.00000
Mn11 Mn 0.90511 0.90511 0.90732 1.00000
Mn12 Mn 0.65876 0.65876 0.13785 1.00000
Mn13 Mn 0.85981 0.34074 0.33992 1.00000
Mn14 Mn 0.34074 0.85981 0.33992 1.00000
Mn15 Mn 0.34042 0.34042 0.85796 1.00000
Fe1 Fe 0.14314 0.65794 0.65831 1.00000
Fe2 Fe 0.65794 0.14314 0.65831 1.00000
C1 C 0.50117 0.00029 0.50193 1.00000
C2 C 0.50020 0.50020 0.99863 1.00000
C3 C 0.00029 0.50117 0.50193 1.00000
