DyHo(ErIn)2
Alexandria ALEXAlex-ID: agm044729232 · 空间群: Pmc2_1 (#26)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2_30_spg26
DyErIn HoErIn
2024-12-19 04:04:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044729232).
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 agm044729232
data_agm044729232
_cell_length_a 5.36927
_cell_length_b 6.70254
_cell_length_c 9.27147
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 333.65944
_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 0.00688 0.50405 1.00000
Dy2 Dy 0.00000 0.50688 0.49595 1.00000
Ho1 Ho 0.50000 0.25219 0.33359 1.00000
Ho2 Ho 0.50000 0.75219 0.66641 1.00000
Er1 Er 0.50000 0.00803 0.99577 1.00000
Er2 Er 0.00000 0.26282 0.83428 1.00000
Er3 Er 0.50000 0.50803 0.00423 1.00000
Er4 Er 0.00000 0.76282 0.16572 1.00000
In1 In 0.00000 0.25981 0.16603 1.00000
In2 In 0.50000 0.25513 0.66873 1.00000
In3 In 0.00000 0.75981 0.83397 1.00000
In4 In 0.50000 0.75513 0.33127 1.00000
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