TbDy8Er3
Alexandria ALEXAlex-ID: agm050705372 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_943_spg5
Dy5Er4 Tb(DyEr3)2 TbDy5
2024-12-06 09:28:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050705372).
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 agm050705372
data_agm050705372
_cell_length_a 6.13181
_cell_length_b 6.13181
_cell_length_c 11.40267
_cell_angle_alpha 89.99272
_cell_angle_beta 90.00728
_cell_angle_gamma 60.03532
_cell_volume 371.42340
_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 0.83323 0.83323 0.00000 1.00000
Dy1 Dy 0.50006 0.16686 0.25035 1.00000
Dy2 Dy 0.50045 0.50045 0.00000 1.00000
Dy3 Dy 0.16714 0.83340 0.25032 1.00000
Dy4 Dy 0.83340 0.16714 0.74968 1.00000
Dy5 Dy 0.16684 0.16684 0.00000 1.00000
Dy6 Dy 0.83324 0.83324 0.50000 1.00000
Dy7 Dy 0.50046 0.50046 0.50000 1.00000
Dy8 Dy 0.16686 0.50006 0.74965 1.00000
Er1 Er 0.83431 0.49916 0.25034 1.00000
Er2 Er 0.49916 0.83431 0.74966 1.00000
Er3 Er 0.16684 0.16684 0.50000 1.00000
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