Er6BeIr8
Alexandria ALEXAlex-ID: agm072933286 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_619_spg2
Er2BeIr2 Er5Ir4 ErIr2
2024-10-05 11:51:02.072475
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072933286).
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 agm072933286
data_agm072933286
_cell_length_a 5.87823
_cell_length_b 6.09012
_cell_length_c 8.36251
_cell_angle_alpha 102.45336
_cell_angle_beta 95.09600
_cell_angle_gamma 93.45680
_cell_volume 290.19828
_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 0.54649 0.45373 0.78456 1.00000
Er2 Er 0.05672 0.73750 0.91957 1.00000
Er3 Er 0.25843 0.91576 0.58515 1.00000
Er4 Er 0.45351 0.54627 0.21544 1.00000
Er5 Er 0.94328 0.26250 0.08043 1.00000
Er6 Er 0.74157 0.08424 0.41485 1.00000
Be1 Be 0.00000 0.50000 0.50000 1.00000
Ir1 Ir 0.68629 0.66362 0.53363 1.00000
Ir2 Ir 0.31371 0.33638 0.46637 1.00000
Ir3 Ir 0.36132 0.13187 0.94727 1.00000
Ir4 Ir 0.71880 0.00453 0.76924 1.00000
Ir5 Ir 0.96554 0.68556 0.27789 1.00000
Ir6 Ir 0.63868 0.86813 0.05273 1.00000
Ir7 Ir 0.28120 0.99547 0.23076 1.00000
Ir8 Ir 0.03446 0.31444 0.72211 1.00000
Get direct link