YGaHg2
Alexandria ALEXAlex-ID: agm003634005 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_7872_spg11
YHg3 YGa2 Hg
2022-04-14 11:27:45.205407
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003634005).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003634005
data_agm003634005
_cell_length_a 4.44176
_cell_length_b 4.38485
_cell_length_c 9.74487
_cell_angle_alpha 98.46387
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 187.72808
_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
Y1 Y 0.75000 0.33058 0.74583 1.00000
Y2 Y 0.25000 0.66942 0.25417 1.00000
Ga1 Ga 0.75000 0.18955 0.29327 1.00000
Ga2 Ga 0.25000 0.81045 0.70673 1.00000
Hg1 Hg 0.75000 0.78468 0.02844 1.00000
Hg2 Hg 0.25000 0.21532 0.97156 1.00000
Hg3 Hg 0.75000 0.75469 0.50166 1.00000
Hg4 Hg 0.25000 0.24531 0.49834 1.00000
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