ErBiH6
Alexandria ALEXAlex-ID: agm079200850 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1239_spg2
BiH2 BiH9 ErH3
2025-06-26 19:50:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079200850).
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 agm079200850
data_agm079200850
_cell_length_a 4.45358
_cell_length_b 4.50953
_cell_length_c 6.90511
_cell_angle_alpha 58.18939
_cell_angle_beta 78.16713
_cell_angle_gamma 86.04877
_cell_volume 115.21657
_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
Er1 Er 0.26482 0.40258 0.61566 1.00000
Bi1 Bi 0.75294 0.81931 0.70769 1.00000
H1 H 0.63209 0.26296 0.42626 1.00000
H2 H 0.00939 0.32050 0.92720 1.00000
H3 H 0.22581 0.55448 0.22914 1.00000
H4 H 0.32705 0.96961 0.29526 1.00000
H5 H 0.48319 0.90592 0.26054 1.00000
H6 H 0.05470 0.51465 0.28826 1.00000
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