Sm2Fe5C4
Alexandria ALEXAlex-ID: agm005667040 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_20_spg69
Sm(FeC)2 Fe
2023-06-21 10:42:45.705123
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667040).
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 agm005667040
data_agm005667040
_cell_length_a 5.01100
_cell_length_b 5.32891
_cell_length_c 5.72346
_cell_angle_alpha 78.12236
_cell_angle_beta 64.03897
_cell_angle_gamma 61.95454
_cell_volume 121.27668
_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
Sm1 Sm 0.85245 0.00000 0.29509 1.00000
Sm2 Sm 0.14755 0.00000 0.70491 1.00000
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
Fe2 Fe 0.00000 0.50000 0.00000 1.00000
Fe3 Fe 0.50000 0.50000 0.00000 1.00000
Fe4 Fe 0.25000 0.50000 0.50000 1.00000
Fe5 Fe 0.75000 0.50000 0.50000 1.00000
C1 C 0.46673 0.32652 0.74002 1.00000
C2 C 0.53327 0.67348 0.25998 1.00000
C3 C 0.20675 0.32652 0.25998 1.00000
C4 C 0.79325 0.67348 0.74002 1.00000
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