BiH8IrRu4
Alexandria ALEXAlex-ID: agm007018580 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_334_spg1
IrRu5 IrRu3 BiH9 BiH2
2024-03-06 00:21:01.449827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007018580).
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 agm007018580
data_agm007018580
_cell_length_a 5.66787
_cell_length_b 5.54682
_cell_length_c 5.59742
_cell_angle_alpha 97.26591
_cell_angle_beta 110.55715
_cell_angle_gamma 119.99501
_cell_volume 132.43560
_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 0.40873 0.89004 0.55942 1.00000
H1 H 0.90246 0.79354 0.17839 1.00000
H2 H 0.27336 0.39313 0.63401 1.00000
H3 H 0.96618 0.76590 0.77066 1.00000
H4 H 0.56592 0.31585 0.91424 1.00000
H5 H 0.04652 0.29739 0.81832 1.00000
H6 H 0.75000 0.36436 0.41164 1.00000
H7 H 0.91738 0.24301 0.22235 1.00000
H8 H 0.68162 0.72701 0.36931 1.00000
Ir1 Ir 0.99253 0.05564 0.01609 1.00000
Ru1 Ru 0.50110 0.06885 0.09364 1.00000
Ru2 Ru 0.54433 0.47399 0.51403 1.00000
Ru3 Ru 0.98582 0.55445 0.00128 1.00000
Ru4 Ru 0.46403 0.55683 0.99662 1.00000
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