La2Dy3In4
Alexandria ALEXAlex-ID: agm005684740 · 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
Dy5In3 LaDyIn2 LaIn
2023-06-27 05:57:26.549683
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684740).
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 agm005684740
data_agm005684740
_cell_length_a 8.11375
_cell_length_b 8.44935
_cell_length_c 8.46465
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 108.04514
_cell_volume 551.75807
_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
La1 La 0.56797 0.19025 0.32113 1.00000
La2 La 0.93203 0.80975 0.82113 1.00000
La3 La 0.43203 0.80975 0.67887 1.00000
La4 La 0.06797 0.19025 0.17887 1.00000
Dy1 Dy 0.00000 0.50000 0.50000 1.00000
Dy2 Dy 0.50000 0.50000 0.00000 1.00000
Dy3 Dy 0.74873 0.24677 0.82858 1.00000
Dy4 Dy 0.75127 0.75323 0.32858 1.00000
Dy5 Dy 0.25127 0.75323 0.17142 1.00000
Dy6 Dy 0.24873 0.24677 0.67142 1.00000
In1 In 0.85874 0.07974 0.53523 1.00000
In2 In 0.64126 0.92026 0.03523 1.00000
In3 In 0.14126 0.92026 0.46477 1.00000
In4 In 0.35874 0.07974 0.96477 1.00000
In5 In 0.87079 0.49416 0.12550 1.00000
In6 In 0.62921 0.50584 0.62550 1.00000
In7 In 0.12921 0.50584 0.87450 1.00000
In8 In 0.37079 0.49416 0.37450 1.00000
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