Ba7Bi4H
Alexandria ALEXAlex-ID: agm006500902 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_489_spg2
Ba5Bi3 Ba2BiH
2024-03-01 03:39:20.527160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006500902).
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 agm006500902
data_agm006500902
_cell_length_a 10.36735
_cell_length_b 10.36735
_cell_length_c 12.63828
_cell_angle_alpha 56.84771
_cell_angle_beta 56.84771
_cell_angle_gamma 29.07883
_cell_volume 544.73765
_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 0.13922 0.13922 0.18760 1.00000
Ba2 Ba 0.86078 0.86078 0.81240 1.00000
Ba3 Ba 0.86285 0.86285 0.42880 1.00000
Ba4 Ba 0.13715 0.13715 0.57120 1.00000
Ba5 Ba 0.63299 0.63299 0.87178 1.00000
Ba6 Ba 0.50000 0.50000 0.50000 1.00000
Ba7 Ba 0.36701 0.36701 0.12822 1.00000
Bi1 Bi 0.49416 0.49416 0.78587 1.00000
Bi2 Bi 0.50584 0.50584 0.21413 1.00000
Bi3 Bi 0.27629 0.27629 0.68894 1.00000
Bi4 Bi 0.72371 0.72371 0.31106 1.00000
H1 H 0.00000 0.00000 0.50000 1.00000
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