Er(Ga2Cu)4
Alexandria ALEXAlex-ID: agm003671990 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
ErGa3 Ga2Cu Er(GaCu)6
2022-04-20 21:24:00.426305
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003671990).
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 agm003671990
data_agm003671990
_cell_length_a 5.24942
_cell_length_b 6.78477
_cell_length_c 6.78477
_cell_angle_alpha 81.39306
_cell_angle_beta 67.24119
_cell_angle_gamma 67.24119
_cell_volume 205.48351
_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 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.00000 0.34587 0.65413 1.00000
Ga2 Ga 0.00000 0.65413 0.34587 1.00000
Ga3 Ga 0.34587 0.65413 0.65413 1.00000
Ga4 Ga 0.65413 0.34587 0.34587 1.00000
Ga5 Ga 0.50000 0.78546 0.21454 1.00000
Ga6 Ga 0.50000 0.21454 0.78546 1.00000
Ga7 Ga 0.28546 0.21454 0.21454 1.00000
Ga8 Ga 0.71454 0.78546 0.78546 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Cu2 Cu 0.50000 0.00000 0.50000 1.00000
Cu3 Cu 0.00000 0.50000 0.00000 1.00000
Cu4 Cu 0.50000 0.50000 0.00000 1.00000
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