Ta(BiH4)2
Alexandria ALEXAlex-ID: agm006563643 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_340_spg12
BiH2 TaH2 BiH9
2024-08-14 09:53:15.841914
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006563643).
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 agm006563643
data_agm006563643
_cell_length_a 7.46001
_cell_length_b 7.46001
_cell_length_c 7.46001
_cell_angle_alpha 155.01997
_cell_angle_beta 132.10580
_cell_angle_gamma 54.76322
_cell_volume 129.44326
_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
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.22913 0.22913 0.00000 1.00000
Bi2 Bi 0.77087 0.77087 0.00000 1.00000
H1 H 0.66814 0.90746 0.76068 1.00000
H2 H 0.85323 0.09254 0.76068 1.00000
H3 H 0.91483 0.41483 0.50000 1.00000
H4 H 0.19803 0.50000 0.69803 1.00000
H5 H 0.08517 0.58517 0.50000 1.00000
H6 H 0.14677 0.90746 0.23932 1.00000
H7 H 0.33186 0.09254 0.23932 1.00000
H8 H 0.80197 0.50000 0.30197 1.00000
Get direct link