U4Bi3H2
Alexandria ALEXAlex-ID: agm006347170 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_150_spg15
UBiH U2Bi
2024-02-23 18:38:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006347170).
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 agm006347170
data_agm006347170
_cell_length_a 8.71816
_cell_length_b 8.71816
_cell_length_c 5.94467
_cell_angle_alpha 79.83124
_cell_angle_beta 79.83124
_cell_angle_gamma 68.01421
_cell_volume 409.36215
_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
U1 U 0.95623 0.42739 0.37394 1.00000
U2 U 0.57261 0.04377 0.12606 1.00000
U3 U 0.04377 0.57261 0.62606 1.00000
U4 U 0.42739 0.95623 0.87394 1.00000
U5 U 0.23591 0.38097 0.12643 1.00000
U6 U 0.61903 0.76409 0.37357 1.00000
U7 U 0.76409 0.61903 0.87357 1.00000
U8 U 0.38097 0.23591 0.62643 1.00000
Bi1 Bi 0.01954 0.22043 0.89848 1.00000
Bi2 Bi 0.77957 0.98046 0.60152 1.00000
Bi3 Bi 0.98046 0.77957 0.10152 1.00000
Bi4 Bi 0.22043 0.01954 0.39848 1.00000
Bi5 Bi 0.62756 0.37244 0.25000 1.00000
Bi6 Bi 0.37244 0.62756 0.75000 1.00000
H1 H 0.28540 0.47691 0.41780 1.00000
H2 H 0.52309 0.71460 0.08220 1.00000
H3 H 0.71460 0.52309 0.58220 1.00000
H4 H 0.47691 0.28540 0.91780 1.00000
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