Ba2HgHPt
Alexandria ALEXAlex-ID: agm007197133 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_28_spg11
Ba2H6Pt BaPt BaHg2 BaHg
2024-03-16 07:28:28.149960
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007197133).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007197133
data_agm007197133
_cell_length_a 4.61517
_cell_length_b 7.36038
_cell_length_c 8.95074
_cell_angle_alpha 73.64558
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 291.74906
_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
Ba1 Ba 0.25000 0.27246 0.91097 1.00000
Ba2 Ba 0.25000 0.25912 0.45770 1.00000
Ba3 Ba 0.75000 0.72754 0.08903 1.00000
Ba4 Ba 0.75000 0.74088 0.54230 1.00000
Hg1 Hg 0.75000 0.16463 0.20706 1.00000
Hg2 Hg 0.25000 0.83537 0.79294 1.00000
H1 H 0.75000 0.33963 0.65791 1.00000
H2 H 0.25000 0.66037 0.34209 1.00000
Pt1 Pt 0.75000 0.09665 0.72689 1.00000
Pt2 Pt 0.25000 0.90335 0.27311 1.00000
Get direct link