Er6Cu2Bi
Alexandria ALEXAlex-ID: agm005802301 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_798_spg71
Er5Cu2Bi Er
2023-07-06 23:23:04.100510
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802301).
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 agm005802301
data_agm005802301
_cell_length_a 8.52045
_cell_length_b 8.52045
_cell_length_c 8.52045
_cell_angle_alpha 103.70688
_cell_angle_beta 110.47470
_cell_angle_gamma 114.40926
_cell_volume 471.98581
_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 0.51934 0.70781 0.81153 1.00000
Er2 Er 0.48066 0.29219 0.18847 1.00000
Er3 Er 0.10372 0.29219 0.81153 1.00000
Er4 Er 0.89628 0.70781 0.18847 1.00000
Er5 Er 0.79504 0.76983 0.56488 1.00000
Er6 Er 0.20496 0.23017 0.43512 1.00000
Er7 Er 0.20496 0.76984 0.97479 1.00000
Er8 Er 0.79504 0.23017 0.02521 1.00000
Er9 Er 0.68955 0.36999 0.68044 1.00000
Er10 Er 0.31045 0.63001 0.31956 1.00000
Er11 Er 0.31045 0.99089 0.68044 1.00000
Er12 Er 0.68955 0.00911 0.31956 1.00000
Cu1 Cu 0.50000 0.38209 0.88209 1.00000
Cu2 Cu 0.50000 0.61791 0.11791 1.00000
Cu3 Cu 0.64361 0.00000 0.64361 1.00000
Cu4 Cu 0.35639 1.00000 0.35639 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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