Er3Ga7Fe2
Alexandria ALEXAlex-ID: agm024307686 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_313_spg12
ErGa2 Er(GaFe)6 Er3Ga5
2025-05-16 03:43:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024307686).
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
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# CIF generated by HEAS from Alexandria entry agm024307686
data_agm024307686
_cell_length_a 8.97401
_cell_length_b 8.97401
_cell_length_c 8.97401
_cell_angle_alpha 35.10883
_cell_angle_beta 35.10883
_cell_angle_gamma 35.10883
_cell_volume 213.48514
_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 0.14322 0.14322 0.14322 1.00000
Er3 Er 0.85678 0.85678 0.85678 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Ga2 Ga 0.07059 0.58216 0.58216 1.00000
Ga3 Ga 0.58216 0.58216 0.07059 1.00000
Ga4 Ga 0.58216 0.07059 0.58216 1.00000
Ga5 Ga 0.92941 0.41784 0.41784 1.00000
Ga6 Ga 0.41784 0.92941 0.41784 1.00000
Ga7 Ga 0.41784 0.41784 0.92941 1.00000
Fe1 Fe 0.33555 0.33555 0.33555 1.00000
Fe2 Fe 0.66445 0.66445 0.66445 1.00000
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