Dy2Ho3Tl4
Alexandria ALEXAlex-ID: agm034135787 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_99_spg14
Dy5Tl4 Ho5Tl4
2025-03-18 11:31:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034135787).
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 agm034135787
data_agm034135787
_cell_length_a 7.55161
_cell_length_b 8.57014
_cell_length_c 8.32173
_cell_angle_alpha 90.00000
_cell_angle_beta 106.48073
_cell_angle_gamma 90.00000
_cell_volume 516.44140
_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 0.44215 0.69737 0.82629 1.00000
Dy2 Dy 0.05785 0.19737 0.17371 1.00000
Dy3 Dy 0.55785 0.30263 0.17371 1.00000
Dy4 Dy 0.94215 0.80263 0.82629 1.00000
Ho1 Ho 0.00000 0.50000 0.50000 1.00000
Ho2 Ho 0.50000 0.00000 0.50000 1.00000
Ho3 Ho 0.24182 0.16087 0.75956 1.00000
Ho4 Ho 0.25818 0.66087 0.24044 1.00000
Ho5 Ho 0.75818 0.83913 0.24044 1.00000
Ho6 Ho 0.74182 0.33913 0.75956 1.00000
Tl1 Tl 0.15996 0.46440 0.91244 1.00000
Tl2 Tl 0.34004 0.96440 0.08756 1.00000
Tl3 Tl 0.84004 0.53560 0.08756 1.00000
Tl4 Tl 0.65996 0.03560 0.91244 1.00000
Tl5 Tl 0.13066 0.85564 0.52383 1.00000
Tl6 Tl 0.36934 0.35564 0.47617 1.00000
Tl7 Tl 0.86934 0.14436 0.47617 1.00000
Tl8 Tl 0.63066 0.64436 0.52383 1.00000
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