Er2Be4Ir5
Alexandria ALEXAlex-ID: agm005667280 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_188_spg69
Er3Be2Ir5 Be2Ir ErIr2
2023-06-21 10:05:04.924407
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667280).
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 agm005667280
data_agm005667280
_cell_length_a 5.66503
_cell_length_b 5.46422
_cell_length_c 6.82057
_cell_angle_alpha 77.56828
_cell_angle_beta 65.46242
_cell_angle_gamma 58.77669
_cell_volume 164.24369
_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 0.86483 1.00000 0.27035 1.00000
Er2 Er 0.13517 0.00000 0.72965 1.00000
Be1 Be 0.47486 0.31542 0.73486 1.00000
Be2 Be 0.52514 0.68458 0.26514 1.00000
Be3 Be 0.20972 0.31542 0.26514 1.00000
Be4 Be 0.79028 0.68458 0.73486 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
Ir2 Ir 0.00000 0.50000 0.00000 1.00000
Ir3 Ir 0.50000 0.50000 0.00000 1.00000
Ir4 Ir 0.25000 0.50000 0.50000 1.00000
Ir5 Ir 0.75000 0.50000 0.50000 1.00000
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