Er3FeI3
Alexandria ALEXAlex-ID: agm046727062 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_108_spg11
Er2Fe2I Er20Fe5I24 Er
2024-12-05 04:04:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm046727062).
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 agm046727062
data_agm046727062
_cell_length_a 4.10071
_cell_length_b 8.75929
_cell_length_c 12.40107
_cell_angle_alpha 93.94615
_cell_angle_beta 89.98351
_cell_angle_gamma 90.02443
_cell_volume 444.38174
_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 0.24966 0.75748 0.40271 1.00000
Er2 Er 0.75034 0.24252 0.59729 1.00000
Er3 Er 0.24955 0.14244 0.37416 1.00000
Er4 Er 0.75045 0.85756 0.62584 1.00000
Er5 Er 0.25049 0.08975 0.79923 1.00000
Er6 Er 0.74951 0.91025 0.20077 1.00000
Fe1 Fe 0.25071 0.03772 0.57648 1.00000
Fe2 Fe 0.74929 0.96228 0.42352 1.00000
I1 I 0.25016 0.56796 0.63225 1.00000
I2 I 0.74984 0.43204 0.36775 1.00000
I3 I 0.25006 0.14395 0.11378 1.00000
I4 I 0.74994 0.85605 0.88622 1.00000
I5 I 0.24932 0.65522 0.14325 1.00000
I6 I 0.75068 0.34478 0.85675 1.00000
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