Cr2CoBiH8
Alexandria ALEXAlex-ID: agm007176576 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_929_spg12
BiH9 CoH CrH BiH2
2024-07-09 21:06:13.142241
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007176576).
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 agm007176576
data_agm007176576
_cell_length_a 3.50613
_cell_length_b 4.74947
_cell_length_c 7.03627
_cell_angle_alpha 86.28023
_cell_angle_beta 85.23779
_cell_angle_gamma 63.96451
_cell_volume 104.86326
_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 0.25008 0.42872 0.11505 1.00000
Cr2 Cr 0.74992 0.57128 0.88495 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.00000 0.50000 0.50000 1.00000
H1 H 0.34904 0.12947 0.26967 1.00000
H2 H 0.58405 0.03335 0.14575 1.00000
H3 H 0.65096 0.87053 0.73033 1.00000
H4 H 0.80456 0.35277 0.10834 1.00000
H5 H 0.19544 0.64723 0.89166 1.00000
H6 H 0.15556 0.79463 0.19132 1.00000
H7 H 0.84444 0.20537 0.80868 1.00000
H8 H 0.41595 0.96665 0.85425 1.00000
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