Er3Ga2Ir
Alexandria ALEXAlex-ID: agm005748232 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_315_spg62
Er3(GaIr)2 ErGa Er5Ir3
2023-08-17 21:50:48.973886
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005748232).
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 agm005748232
data_agm005748232
_cell_length_a 4.28945
_cell_length_b 10.95819
_cell_length_c 11.77217
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 553.34664
_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 0.25000 0.37583 0.05021 1.00000
Er2 Er 0.75000 0.62417 0.94979 1.00000
Er3 Er 0.75000 0.87583 0.44979 1.00000
Er4 Er 0.25000 0.12417 0.55021 1.00000
Er5 Er 0.25000 0.69883 0.23158 1.00000
Er6 Er 0.75000 0.30117 0.76842 1.00000
Er7 Er 0.75000 0.19883 0.26842 1.00000
Er8 Er 0.25000 0.80117 0.73158 1.00000
Er9 Er 0.25000 0.44136 0.38267 1.00000
Er10 Er 0.75000 0.55864 0.61733 1.00000
Er11 Er 0.75000 0.94136 0.11733 1.00000
Er12 Er 0.25000 0.05864 0.88267 1.00000
Ga1 Ga 0.25000 0.69779 0.49295 1.00000
Ga2 Ga 0.75000 0.30221 0.50705 1.00000
Ga3 Ga 0.75000 0.19779 0.00705 1.00000
Ga4 Ga 0.25000 0.80221 0.99295 1.00000
Ga5 Ga 0.25000 0.99425 0.30832 1.00000
Ga6 Ga 0.75000 0.00575 0.69168 1.00000
Ga7 Ga 0.75000 0.49425 0.19168 1.00000
Ga8 Ga 0.25000 0.50575 0.80832 1.00000
Ir1 Ir 0.25000 0.12284 0.12211 1.00000
Ir2 Ir 0.75000 0.87716 0.87789 1.00000
Ir3 Ir 0.75000 0.62284 0.37789 1.00000
Ir4 Ir 0.25000 0.37716 0.62211 1.00000
