YFe2C3
Alexandria ALEXAlex-ID: agm005689489 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1009_spg63
Y(FeC)2 C
2023-08-07 08:41:56.620145
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689489).
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 agm005689489
data_agm005689489
_cell_length_a 4.79129
_cell_length_b 6.55646
_cell_length_c 5.50009
_cell_angle_alpha 126.58644
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 138.73468
_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
Y1 Y 0.75000 0.28874 0.57747 1.00000
Y2 Y 0.25000 0.71126 0.42253 1.00000
Fe1 Fe 0.50000 0.18980 0.00000 1.00000
Fe2 Fe 0.50000 0.81020 1.00000 1.00000
Fe3 Fe 0.00000 0.81020 1.00000 1.00000
Fe4 Fe 0.00000 0.18980 0.00000 1.00000
C1 C 0.25000 0.53204 0.85306 1.00000
C2 C 0.75000 0.46796 0.14694 1.00000
C3 C 0.75000 0.67898 0.14694 1.00000
C4 C 0.25000 0.32102 0.85306 1.00000
C5 C 0.25000 0.08525 0.17051 1.00000
C6 C 0.75000 0.91475 0.82949 1.00000
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