Er2HgIr2
Alexandria ALEXAlex-ID: agm005960002 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2_spg71
Er4Hg5Ir2 Er2HgIr ErIr2
2023-08-03 15:55:08.025430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005960002).
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 agm005960002
data_agm005960002
_cell_length_a 4.42857
_cell_length_b 5.47943
_cell_length_c 5.47935
_cell_angle_alpha 65.74825
_cell_angle_beta 66.16440
_cell_angle_gamma 66.16433
_cell_volume 106.27214
_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 0.29138 0.20863 0.70859 1.00000
Er2 Er 0.70861 0.79138 0.29141 1.00000
Hg1 Hg 0.50000 0.50000 0.00000 1.00000
Ir1 Ir 0.00001 0.21054 0.28945 1.00000
Ir2 Ir 0.99999 0.78946 0.71055 1.00000
