Cr8BiH4
Alexandria ALEXAlex-ID: agm097569192 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_886_spg6
Cr Bi CrH
2025-04-29 16:50:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097569192).
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 agm097569192
data_agm097569192
_cell_length_a 2.87912
_cell_length_b 7.29437
_cell_length_c 7.22395
_cell_angle_alpha 118.59978
_cell_angle_beta 89.99673
_cell_angle_gamma 90.00992
_cell_volume 133.20129
_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
Cr1 Cr 0.23096 0.63954 0.01470 1.00000
Cr2 Cr 0.23077 0.31941 0.40910 1.00000
Cr3 Cr 0.73087 0.32560 0.72069 1.00000
Cr4 Cr 0.23084 0.95078 0.62972 1.00000
Cr5 Cr 0.73073 0.96931 0.38762 1.00000
Cr6 Cr 0.73085 0.56335 0.30643 1.00000
Cr7 Cr 0.73054 0.61413 0.69681 1.00000
Cr8 Cr 0.23086 0.35072 0.01093 1.00000
Bi1 Bi 0.73070 0.02777 0.03433 1.00000
H1 H 0.73076 0.78089 0.56689 1.00000
H2 H 0.73100 0.71766 0.17790 1.00000
H3 H 0.23036 0.58688 0.51165 1.00000
H4 H 0.23077 0.15397 0.53322 1.00000
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