Er2Ga7Cu12
Alexandria ALEXAlex-ID: agm005673084 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_5_spg147
Er2Ga5Cu3 Er(GaCu)6 Cu
2023-06-21 07:28:57.491348
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673084).
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 agm005673084
data_agm005673084
_cell_length_a 3.84443
_cell_length_b 9.81839
_cell_length_c 9.81840
_cell_angle_alpha 119.99999
_cell_angle_beta 89.99997
_cell_angle_gamma 90.00001
_cell_volume 320.95482
_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 0.24130 0.33333 0.66667 1.00000
Er2 Er 0.75870 0.66667 0.33333 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ga2 Ga 0.26137 0.88249 0.29494 1.00000
Ga3 Ga 0.26137 0.41245 0.11751 1.00000
Ga4 Ga 0.26137 0.70506 0.58755 1.00000
Ga5 Ga 0.73863 0.11751 0.70506 1.00000
Ga6 Ga 0.73863 0.58755 0.88249 1.00000
Ga7 Ga 0.73863 0.29494 0.41245 1.00000
Cu1 Cu 0.24248 0.62431 0.05485 1.00000
Cu2 Cu 0.24248 0.43053 0.37568 1.00000
Cu3 Cu 0.24248 0.94515 0.56947 1.00000
Cu4 Cu 0.75752 0.37569 0.94515 1.00000
Cu5 Cu 0.75752 0.56947 0.62432 1.00000
Cu6 Cu 0.75752 0.05485 0.43053 1.00000
Cu7 Cu 0.23013 0.12210 0.26283 1.00000
Cu8 Cu 0.23013 0.14073 0.87790 1.00000
Cu9 Cu 0.23014 0.73717 0.85927 1.00000
Cu10 Cu 0.76987 0.87790 0.73717 1.00000
Cu11 Cu 0.76987 0.85927 0.12210 1.00000
Cu12 Cu 0.76986 0.26283 0.14073 1.00000
