Dy3Er(TmBi3)2
Alexandria ALEXAlex-ID: agm030222087 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_175_spg12
Dy3ErBi4 ErTm3Bi4 Dy3TmBi4
2024-11-14 14:34:15.124929
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030222087).
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 agm030222087
data_agm030222087
_cell_length_a 7.71715
_cell_length_b 7.71715
_cell_length_c 7.70837
_cell_angle_alpha 80.40859
_cell_angle_beta 80.40859
_cell_angle_gamma 120.00148
_cell_volume 374.83293
_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 0.83377 0.16623 0.50000 1.00000
Dy2 Dy 0.16623 0.83377 0.50000 1.00000
Dy3 Dy 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.66686 0.33314 0.00000 1.00000
Tm2 Tm 0.33314 0.66686 0.00000 1.00000
Bi1 Bi 0.58355 0.91751 0.24730 1.00000
Bi2 Bi 0.74814 0.74814 0.75331 1.00000
Bi3 Bi 0.41645 0.08249 0.75270 1.00000
Bi4 Bi 0.91751 0.58355 0.24730 1.00000
Bi5 Bi 0.25186 0.25186 0.24669 1.00000
Bi6 Bi 0.08249 0.41645 0.75270 1.00000
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