Er2GaIr3
Alexandria ALEXAlex-ID: agm034762696 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1900_spg8
ErGaIr ErIr2
2024-11-14 16:53:50.075366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034762696).
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 agm034762696
data_agm034762696
_cell_length_a 5.14696
_cell_length_b 5.14696
_cell_length_c 5.14696
_cell_angle_alpha 65.30686
_cell_angle_beta 65.30686
_cell_angle_gamma 65.30686
_cell_volume 107.55595
_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 0.62720 0.62720 0.62720 1.00000
Er2 Er 0.37280 0.37280 0.37280 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.00000 0.50000 0.00000 1.00000
Ir2 Ir 0.50000 0.00000 0.00000 1.00000
Ir3 Ir 0.00000 0.00000 0.50000 1.00000
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