BeHgPt3
Alexandria ALEXAlex-ID: agm003046292 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_1429_spg15
BePt2 Hg4Pt Pt
2016-03-27 04:25:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003046292).
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 agm003046292
data_agm003046292
_cell_length_a 14.54988
_cell_length_b 7.89692
_cell_length_c 7.89692
_cell_angle_alpha 120.00377
_cell_angle_beta 141.38572
_cell_angle_gamma 38.61428
_cell_volume 338.86994
_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
Be1 Be 0.36562 0.12608 0.47847 1.00000
Be2 Be 0.13438 0.97847 0.62608 1.00000
Be3 Be 0.63438 0.87392 0.52153 1.00000
Be4 Be 0.86562 0.02153 0.37392 1.00000
Hg1 Hg 0.75000 0.11519 0.61519 1.00000
Hg2 Hg 0.25000 0.88481 0.38481 1.00000
Hg3 Hg 0.75000 0.60476 0.10476 1.00000
Hg4 Hg 0.25000 0.39524 0.89524 1.00000
Pt1 Pt 0.40113 0.34728 0.43341 1.00000
Pt2 Pt 0.09887 0.93341 0.84728 1.00000
Pt3 Pt 0.59887 0.65272 0.56659 1.00000
Pt4 Pt 0.90113 0.06659 0.15272 1.00000
Pt5 Pt 0.02330 0.35808 0.09581 1.00000
Pt6 Pt 0.47670 0.59581 0.85808 1.00000
Pt7 Pt 0.97670 0.64192 0.90419 1.00000
Pt8 Pt 0.52330 0.40419 0.14192 1.00000
Pt9 Pt 0.69172 0.95124 0.93077 1.00000
Pt10 Pt 0.80828 0.43077 0.45124 1.00000
Pt11 Pt 0.30828 0.04876 0.06923 1.00000
Pt12 Pt 0.19172 0.56923 0.54876 1.00000
