Er2InAg3
Alexandria ALEXAlex-ID: agm003428016 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_862_spg69
ErInAg ErAg2
2022-02-12 12:56:37.763804
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003428016).
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 agm003428016
data_agm003428016
_cell_length_a 5.84205
_cell_length_b 5.84205
_cell_length_c 9.05980
_cell_angle_alpha 101.86504
_cell_angle_beta 101.86504
_cell_angle_gamma 111.24105
_cell_volume 268.41648
_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 0.25000 0.75000 0.50000 1.00000
Er2 Er 0.75438 0.75438 0.00000 1.00000
Er3 Er 0.75000 0.25000 0.50000 1.00000
Er4 Er 0.24562 0.24562 1.00000 1.00000
In1 In 0.66625 0.66625 0.33250 1.00000
In2 In 0.33375 0.33375 0.66750 1.00000
Ag1 Ag 0.33193 0.83308 0.16502 1.00000
Ag2 Ag 0.16692 0.66807 0.83498 1.00000
Ag3 Ag 0.66807 0.16692 0.83498 1.00000
Ag4 Ag 0.83308 0.33193 0.16502 1.00000
Ag5 Ag 0.16711 0.16711 0.33423 1.00000
Ag6 Ag 0.83289 0.83289 0.66577 1.00000
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