Bi2H8Pt
Alexandria ALEXAlex-ID: agm006452003 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1631_spg2
BiH9 Bi2Pt BiPt
2024-10-22 10:12:35.184582
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006452003).
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 agm006452003
data_agm006452003
_cell_length_a 6.29949
_cell_length_b 6.29949
_cell_length_c 8.30060
_cell_angle_alpha 71.34745
_cell_angle_beta 71.34745
_cell_angle_gamma 28.73545
_cell_volume 149.48312
_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
Bi1 Bi 0.12939 0.12939 0.39344 1.00000
Bi2 Bi 0.87061 0.87061 0.60656 1.00000
H1 H 0.63234 0.63234 0.85749 1.00000
H2 H 0.55884 0.55884 0.15405 1.00000
H3 H 0.15941 0.15941 0.59756 1.00000
H4 H 0.92633 0.92633 0.08232 1.00000
H5 H 0.84059 0.84059 0.40244 1.00000
H6 H 0.44116 0.44116 0.84595 1.00000
H7 H 0.36766 0.36766 0.14251 1.00000
H8 H 0.07367 0.07367 0.91768 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
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