SmFeC2
Alexandria ALEXAlex-ID: agm002201871 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_157_spg9
Sm2FeC4 Sm(FeC)2
2018-07-01 11:49:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201871).
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
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# CIF generated by HEAS from Alexandria entry agm002201871
data_agm002201871
_cell_length_a 3.75704
_cell_length_b 3.75704
_cell_length_c 7.39174
_cell_angle_alpha 82.15820
_cell_angle_beta 82.15855
_cell_angle_gamma 89.93229
_cell_volume 102.37845
_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
C1 C 0.55524 0.40673 0.56916 1.00000
C2 C 0.40673 0.55524 0.06916 1.00000
C3 C 0.51263 0.14161 0.72572 1.00000
C4 C 0.14160 0.51263 0.22572 1.00000
Fe1 Fe 0.62238 0.48857 0.30480 1.00000
Fe2 Fe 0.48857 0.62237 0.80480 1.00000
Sm1 Sm 0.93249 0.07336 0.00341 1.00000
Sm2 Sm 0.07336 0.93249 0.50341 1.00000
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