Er3Zn9Ir2
Alexandria ALEXAlex-ID: agm005604926 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_154_spg71
ErZnIr Er13Zn58 ErZn4Ir
2023-06-15 06:06:05.179045
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604926).
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 agm005604926
data_agm005604926
_cell_length_a 4.31480
_cell_length_b 8.03921
_cell_length_c 8.03921
_cell_angle_alpha 67.77912
_cell_angle_beta 74.43331
_cell_angle_gamma 74.43331
_cell_volume 244.28867
_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 0.00000 0.00000 1.00000
Er2 Er 0.69153 0.30847 0.30847 1.00000
Er3 Er 0.30847 0.69153 0.69153 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Zn2 Zn 0.66421 0.97504 0.69655 1.00000
Zn3 Zn 0.33579 0.02496 0.30345 1.00000
Zn4 Zn 0.66421 0.69655 0.97504 1.00000
Zn5 Zn 0.33579 0.30345 0.02496 1.00000
Zn6 Zn 0.87178 0.84995 0.40649 1.00000
Zn7 Zn 0.12822 0.15005 0.59351 1.00000
Zn8 Zn 0.87178 0.40649 0.84995 1.00000
Zn9 Zn 0.12822 0.59351 0.15005 1.00000
Ir1 Ir 0.50000 0.31605 0.68395 1.00000
Ir2 Ir 0.50000 0.68395 0.31605 1.00000
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