Er6Al2Bi
Alexandria ALEXAlex-ID: agm005808136 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
Er5Bi3 Er2Al Er
2023-07-12 08:01:26.896233
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808136).
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 agm005808136
data_agm005808136
_cell_length_a 8.68429
_cell_length_b 8.68429
_cell_length_c 8.68429
_cell_angle_alpha 102.71254
_cell_angle_beta 113.95080
_cell_angle_gamma 111.96179
_cell_volume 498.82797
_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 0.53370 0.72161 0.81209 1.00000
Er2 Er 0.46630 0.27839 0.18791 1.00000
Er3 Er 0.09048 0.27839 0.81209 1.00000
Er4 Er 0.90952 0.72161 0.18791 1.00000
Er5 Er 0.79422 0.75806 0.55228 1.00000
Er6 Er 0.20578 0.24194 0.44772 1.00000
Er7 Er 0.20578 0.75806 0.96385 1.00000
Er8 Er 0.79422 0.24194 0.03615 1.00000
Er9 Er 0.70103 0.38171 0.68068 1.00000
Er10 Er 0.29897 0.61829 0.31932 1.00000
Er11 Er 0.29897 0.97966 0.68068 1.00000
Er12 Er 0.70103 0.02034 0.31932 1.00000
Al1 Al 0.50000 0.38168 0.88168 1.00000
Al2 Al 0.50000 0.61832 0.11832 1.00000
Al3 Al 0.64279 1.00000 0.64279 1.00000
Al4 Al 0.35721 0.00000 0.35721 1.00000
Bi1 Bi 0.00000 0.50000 0.50000 1.00000
Bi2 Bi 0.00000 0.00000 0.00000 1.00000
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