DyTm2(FeSi)6
Alexandria ALEXAlex-ID: agm020463552 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6D6_22_spg139
Tm(FeSi)2 Dy(FeSi)2
2024-11-28 00:15:38.988596
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020463552).
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 agm020463552
data_agm020463552
_cell_length_a 14.47623
_cell_length_b 14.47623
_cell_length_c 14.47623
_cell_angle_alpha 164.35570
_cell_angle_beta 164.35570
_cell_angle_gamma 22.19421
_cell_volume 220.56485
_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
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.33301 0.33301 0.00000 1.00000
Tm2 Tm 0.66699 0.66699 0.00000 1.00000
Fe1 Fe 0.91599 0.41599 0.50000 1.00000
Fe2 Fe 0.25000 0.75000 0.50000 1.00000
Fe3 Fe 0.58401 0.08401 0.50000 1.00000
Fe4 Fe 0.41599 0.91599 0.50000 1.00000
Fe5 Fe 0.75000 0.25000 0.50000 1.00000
Fe6 Fe 0.08401 0.58401 0.50000 1.00000
Si1 Si 0.45523 0.45523 0.00000 1.00000
Si2 Si 0.78901 0.78901 0.00000 1.00000
Si3 Si 0.12297 0.12297 0.00000 1.00000
Si4 Si 0.87703 0.87703 0.00000 1.00000
Si5 Si 0.21099 0.21099 0.00000 1.00000
Si6 Si 0.54477 0.54477 0.00000 1.00000
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