Y3HgN
Alexandria ALEXAlex-ID: agm003109448 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_2577_spg63
Y3HgN
2016-05-31 15:16:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003109448).
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 agm003109448
data_agm003109448
_cell_length_a 3.76482
_cell_length_b 9.50925
_cell_length_c 7.43194
_cell_angle_alpha 90.00000
_cell_angle_beta 75.32838
_cell_angle_gamma 90.00000
_cell_volume 257.39212
_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 0.36055 0.43224 0.27943 1.00000
Y2 Y 0.63945 0.56776 0.72057 1.00000
Y3 Y 0.36055 0.06776 0.27943 1.00000
Y4 Y 0.63945 0.93224 0.72057 1.00000
Y5 Y 0.04206 0.25000 0.91623 1.00000
Y6 Y 0.95794 0.75000 0.08377 1.00000
Hg1 Hg 0.72303 0.25000 0.55419 1.00000
Hg2 Hg 0.27697 0.75000 0.44581 1.00000
N1 N 0.45572 0.25000 0.08896 1.00000
N2 N 0.54428 0.75000 0.91104 1.00000
