NiBi2H7
Alexandria ALEXAlex-ID: agm006200810 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_920_spg12
BiH2 BiH9 NiH
2023-11-24 21:20:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200810).
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
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# CIF generated by HEAS from Alexandria entry agm006200810
data_agm006200810
_cell_length_a 5.32256
_cell_length_b 4.41239
_cell_length_c 10.22287
_cell_angle_alpha 134.45936
_cell_angle_beta 46.95956
_cell_angle_gamma 122.89719
_cell_volume 124.26392
_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
H1 H 0.97782 0.83818 0.16895 1.00000
H2 H 0.96893 0.87287 0.82458 1.00000
H3 H 0.21670 0.52401 0.84226 1.00000
H4 H 0.23301 0.48289 0.05298 1.00000
H5 H 0.47370 0.85611 0.49684 1.00000
H6 H 0.72967 0.18738 0.15130 1.00000
H7 H 0.71292 0.22836 0.94057 1.00000
Bi1 Bi 0.50213 0.85709 0.68719 1.00000
Bi2 Bi 0.44456 0.85490 0.30673 1.00000
Ni1 Ni 0.97294 0.35560 0.99676 1.00000
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