DyY3Hg2
Alexandria ALEXAlex-ID: agm046301641 · 空间群: Pmc2_1 (#26)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_388_spg4
DyYHg Y2Hg
2024-12-24 01:00:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm046301641).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm046301641
data_agm046301641
_cell_length_a 5.11836
_cell_length_b 7.09133
_cell_length_c 9.23968
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 335.36332
_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 0.50000 0.17646 0.82511 1.00000
Dy2 Dy 0.50000 0.67646 0.17489 1.00000
Y1 Y 0.50000 0.02344 0.44330 1.00000
Y2 Y 0.00000 0.33783 0.32591 1.00000
Y3 Y 0.50000 0.52344 0.55670 1.00000
Y4 Y 0.00000 0.83783 0.67409 1.00000
Y5 Y 0.00000 0.99166 0.05519 1.00000
Y6 Y 0.00000 0.49166 0.94481 1.00000
Hg1 Hg 0.00000 0.26984 0.65022 1.00000
Hg2 Hg 0.50000 0.24607 0.14843 1.00000
Hg3 Hg 0.00000 0.76984 0.34978 1.00000
Hg4 Hg 0.50000 0.74607 0.85157 1.00000
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