YTmFe
Alexandria ALEXAlex-ID: agm017208294 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_1740_spg12
Y5Tm YTm2 TmFe2
2025-04-15 17:38:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017208294).
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}
}
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# CIF generated by HEAS from Alexandria entry agm017208294
data_agm017208294
_cell_length_a 7.44510
_cell_length_b 7.44510
_cell_length_c 5.73012
_cell_angle_alpha 77.02051
_cell_angle_beta 102.97949
_cell_angle_gamma 151.64359
_cell_volume 146.75027
_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 0.84767 0.15233 0.66841 1.00000
Y2 Y 0.15233 0.84767 0.33159 1.00000
Tm1 Tm 0.57813 0.42187 0.79324 1.00000
Tm2 Tm 0.42187 0.57813 0.20676 1.00000
Fe1 Fe 0.23444 0.76556 0.88398 1.00000
Fe2 Fe 0.76556 0.23444 0.11602 1.00000
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