YTm2Hg5
Alexandria ALEXAlex-ID: agm003479331 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_257_spg139
Tm3Hg5 Y3Hg5
2022-02-23 06:55:17.781135
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003479331).
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 agm003479331
data_agm003479331
_cell_length_a 5.17047
_cell_length_b 5.17047
_cell_length_c 8.13190
_cell_angle_alpha 108.53672
_cell_angle_beta 108.53672
_cell_angle_gamma 90.00000
_cell_volume 194.18510
_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 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.73646 0.73646 0.47291 1.00000
Tm2 Tm 0.26354 0.26354 0.52709 1.00000
Hg1 Hg 0.50000 0.50000 0.00000 1.00000
Hg2 Hg 0.87257 0.37256 0.74513 1.00000
Hg3 Hg 0.37257 0.87256 0.74513 1.00000
Hg4 Hg 0.12743 0.62744 0.25487 1.00000
Hg5 Hg 0.62743 0.12744 0.25487 1.00000
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