Dy5Ho4Tm
Alexandria ALEXAlex-ID: agm003652182 · 空间群: I4 (#79)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_149_spg79
Dy5Ho HoTm5 Dy2Ho7
2022-04-06 11:31:57.116695
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003652182).
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 agm003652182
data_agm003652182
_cell_length_a 6.22434
_cell_length_b 7.80094
_cell_length_c 7.80094
_cell_angle_alpha 80.84189
_cell_angle_beta 66.48758
_cell_angle_gamma 66.48758
_cell_volume 318.49352
_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 0.80466 0.37716 0.91721 1.00000
Dy2 Dy 0.18182 0.91721 0.62284 1.00000
Dy3 Dy 0.72187 0.08279 0.37716 1.00000
Dy4 Dy 0.09902 0.62284 0.08279 1.00000
Dy5 Dy 0.68127 0.00000 0.00000 1.00000
Ho1 Ho 0.40505 0.38969 0.70104 1.00000
Ho2 Ho 0.79474 0.70104 0.61031 1.00000
Ho3 Ho 0.10609 0.29896 0.38969 1.00000
Ho4 Ho 0.49578 0.61031 0.29896 1.00000
Tm1 Tm 0.22000 0.00000 0.00000 1.00000
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