Bi(H2N)3
Alexandria ALEXAlex-ID: agm071189417 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_2657_spg212
H3N BiN
2024-08-06 21:40:44.096484
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071189417).
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 agm071189417
data_agm071189417
_cell_length_a 8.38803
_cell_length_b 8.38803
_cell_length_c 8.38803
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 590.17342
_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 0.12500 0.12500 0.12500 1.00000
Bi2 Bi 0.37500 0.87500 0.62500 1.00000
Bi3 Bi 0.87500 0.62500 0.37500 1.00000
Bi4 Bi 0.62500 0.37500 0.87500 1.00000
H1 H 0.42631 0.16921 0.03427 1.00000
H2 H 0.07369 0.83079 0.53427 1.00000
H3 H 0.57369 0.66921 0.46573 1.00000
H4 H 0.92631 0.33079 0.96573 1.00000
H5 H 0.03427 0.42631 0.16921 1.00000
H6 H 0.53427 0.07369 0.83079 1.00000
H7 H 0.46573 0.57369 0.66921 1.00000
H8 H 0.96573 0.92631 0.33079 1.00000
H9 H 0.16921 0.03427 0.42631 1.00000
H10 H 0.83079 0.53427 0.07369 1.00000
H11 H 0.66921 0.46573 0.57369 1.00000
H12 H 0.33079 0.96573 0.92631 1.00000
H13 H 0.41921 0.17631 0.71573 1.00000
H14 H 0.08079 0.82369 0.21573 1.00000
H15 H 0.91921 0.32369 0.28427 1.00000
H16 H 0.58079 0.67631 0.78427 1.00000
H17 H 0.67631 0.78427 0.58079 1.00000
H18 H 0.32369 0.28427 0.91921 1.00000
H19 H 0.82369 0.21573 0.08079 1.00000
H20 H 0.17631 0.71573 0.41921 1.00000
H21 H 0.28427 0.91921 0.32369 1.00000
H22 H 0.78427 0.58079 0.67631 1.00000
H23 H 0.71573 0.41921 0.17631 1.00000
H24 H 0.21573 0.08079 0.82369 1.00000
N1 N 0.12500 0.71906 0.53094 1.00000
N2 N 0.37500 0.28094 0.03094 1.00000
N3 N 0.87500 0.21906 0.96906 1.00000
N4 N 0.62500 0.78094 0.46906 1.00000
N5 N 0.53094 0.12500 0.71906 1.00000
N6 N 0.03094 0.37500 0.28094 1.00000
N7 N 0.96906 0.87500 0.21906 1.00000
N8 N 0.46906 0.62500 0.78094 1.00000
N9 N 0.71906 0.53094 0.12500 1.00000
N10 N 0.28094 0.03094 0.37500 1.00000
N11 N 0.21906 0.96906 0.87500 1.00000
N12 N 0.78094 0.46906 0.62500 1.00000
