Dy6Hg3OsRu2
Alexandria ALEXAlex-ID: agm047555331 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_176_spg12
Dy5HgOs2 Dy6Hg5Os Dy2HgRu DyOs2
2024-10-02 01:52:37.017820
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047555331).
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 agm047555331
data_agm047555331
_cell_length_a 7.75807
_cell_length_b 7.75807
_cell_length_c 7.57234
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.10406
_cell_volume 273.62274
_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 0.83360 0.16640 0.21782 1.00000
Dy2 Dy 0.50000 0.50000 0.78227 1.00000
Dy3 Dy 0.16640 0.83360 0.78218 1.00000
Dy4 Dy 0.16640 0.83360 0.21782 1.00000
Dy5 Dy 0.50000 0.50000 0.21773 1.00000
Dy6 Dy 0.83360 0.16640 0.78218 1.00000
Hg1 Hg 0.33319 0.66681 0.50000 1.00000
Hg2 Hg 0.66681 0.33319 0.50000 1.00000
Hg3 Hg 0.00000 0.00000 0.50000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.66706 0.33294 0.00000 1.00000
Ru2 Ru 0.33294 0.66706 0.00000 1.00000
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