Tb4HoEr2Mg
Alexandria ALEXAlex-ID: agm004864367 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_443_spg123
Tb5Er4 Tb2HoEr6 Tb2Ho TbErMg
2023-01-26 07:52:21.929832
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004864367).
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 agm004864367
data_agm004864367
_cell_length_a 4.95724
_cell_length_b 4.96680
_cell_length_c 11.05828
_cell_angle_alpha 63.29966
_cell_angle_beta 89.99810
_cell_angle_gamma 89.99880
_cell_volume 243.23978
_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
Tb1 Tb 1.00000 0.74758 0.75244 1.00000
Tb2 Tb 0.00000 0.25244 0.24754 1.00000
Tb3 Tb 0.50000 0.75225 0.24734 1.00000
Tb4 Tb 0.50000 0.24777 0.75264 1.00000
Ho1 Ho 0.00000 0.50003 0.49997 1.00000
Er1 Er 1.00000 0.99993 0.00007 1.00000
Er2 Er 0.50000 0.00008 0.49992 1.00000
Mg1 Mg 0.50000 0.49993 0.00008 1.00000
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