Er3Ir2Ru
Alexandria ALEXAlex-ID: agm034136557 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_391_spg164
Er3Ir2Ru
2025-03-02 02:15:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034136557).
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 agm034136557
data_agm034136557
_cell_length_a 4.78463
_cell_length_b 4.78463
_cell_length_c 11.70799
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 232.11836
_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 0.33333 0.66667 0.91729 1.00000
Er2 Er 0.66667 0.33333 0.58412 1.00000
Er3 Er 0.00000 0.00000 0.24855 1.00000
Er4 Er 0.00000 0.00000 0.75145 1.00000
Er5 Er 0.33333 0.66667 0.41588 1.00000
Er6 Er 0.66667 0.33333 0.08271 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.33333 0.66667 0.66763 1.00000
Ir3 Ir 0.66667 0.33333 0.33237 1.00000
Ir4 Ir 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.33333 0.66667 0.16739 1.00000
Ru2 Ru 0.66667 0.33333 0.83261 1.00000
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