Er5HfIn6
Alexandria ALEXAlex-ID: agm006115409 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Er3In5 Hf3In ErIn
2023-09-17 01:41:29.731703
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115409).
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 agm006115409
data_agm006115409
_cell_length_a 5.31141
_cell_length_b 7.18871
_cell_length_c 9.08816
_cell_angle_alpha 113.30285
_cell_angle_beta 106.95824
_cell_angle_gamma 90.00380
_cell_volume 302.19792
_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 0.66917 0.16904 0.33809 1.00000
Er2 Er 0.33371 0.33385 0.66769 1.00000
Er3 Er 0.00000 0.50000 0.00000 1.00000
Er4 Er 0.66629 0.66615 0.33231 1.00000
Er5 Er 0.33083 0.83096 0.66191 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
In1 In 0.83698 0.59306 0.67398 1.00000
In2 In 0.83695 0.08096 0.67400 1.00000
In3 In 0.50009 0.76209 0.99998 1.00000
In4 In 0.49991 0.23791 0.00002 1.00000
In5 In 0.16305 0.91904 0.32600 1.00000
In6 In 0.16302 0.40694 0.32602 1.00000
Get direct link