Er8Bi2Ir3
Alexandria ALEXAlex-ID: agm005643297 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_146_spg65
Er5Bi2Ir Er5Ir3 ErBi
2023-06-15 17:54:21.935955
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643297).
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 agm005643297
data_agm005643297
_cell_length_a 4.82360
_cell_length_b 9.70069
_cell_length_c 9.04652
_cell_angle_alpha 122.40872
_cell_angle_beta 90.00002
_cell_angle_gamma 90.00001
_cell_volume 357.37590
_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 0.00000 0.60513 0.21023 1.00000
Er2 Er 1.00000 0.39487 0.78977 1.00000
Er3 Er 1.00000 0.10978 0.21951 1.00000
Er4 Er 0.00000 0.89022 0.78049 1.00000
Er5 Er 0.50000 0.64685 0.78528 1.00000
Er6 Er 0.50000 0.13795 0.78452 1.00000
Er7 Er 0.50000 0.86205 0.21548 1.00000
Er8 Er 0.50000 0.35315 0.21472 1.00000
Bi1 Bi 0.50000 0.25693 0.51309 1.00000
Bi2 Bi 0.50000 0.74307 0.48691 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
Ir2 Ir 0.00000 0.24976 0.99974 1.00000
Ir3 Ir 1.00000 0.75024 0.00026 1.00000
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