YMg2ZnHg4
Alexandria ALEXAlex-ID: agm004792604 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_78_spg166
Y2Zn17 MgHg YMgHg2 Hg
2022-07-17 02:38:37.819552
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004792604).
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 agm004792604
data_agm004792604
_cell_length_a 4.88941
_cell_length_b 4.88941
_cell_length_c 9.02549
_cell_angle_alpha 74.28416
_cell_angle_beta 74.28416
_cell_angle_gamma 60.00000
_cell_volume 177.48386
_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
Mg1 Mg 0.75357 0.75357 0.73930 1.00000
Mg2 Mg 0.24643 0.24643 0.26070 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Hg1 Hg 0.38270 0.38270 0.85191 1.00000
Hg2 Hg 0.87346 0.87346 0.37963 1.00000
Hg3 Hg 0.12654 0.12654 0.62037 1.00000
Hg4 Hg 0.61730 0.61730 0.14809 1.00000
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