Er2Zn5In
Alexandria ALEXAlex-ID: agm005993835 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_146_spg63
ErZn3 ErIn3
2023-09-06 06:58:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993835).
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 agm005993835
data_agm005993835
_cell_length_a 4.29155
_cell_length_b 8.34428
_cell_length_c 9.08248
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.90134
_cell_volume 314.30508
_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 0.79899 0.59799 0.75000 1.00000
Er2 Er 0.20101 0.40201 0.25000 1.00000
Er3 Er 0.00000 0.00000 0.00000 1.00000
Er4 Er 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.18901 0.37802 0.89108 1.00000
Zn2 Zn 0.81099 0.62198 0.10892 1.00000
Zn3 Zn 0.18901 0.37802 0.60892 1.00000
Zn4 Zn 0.81099 0.62198 0.39108 1.00000
Zn5 Zn 0.34730 0.69460 0.98089 1.00000
Zn6 Zn 0.65270 0.30540 0.01911 1.00000
Zn7 Zn 0.34730 0.69460 0.51911 1.00000
Zn8 Zn 0.65270 0.30540 0.48089 1.00000
Zn9 Zn 0.61103 0.22207 0.75000 1.00000
Zn10 Zn 0.38897 0.77793 0.25000 1.00000
In1 In 0.44894 0.89787 0.75000 1.00000
In2 In 0.55106 0.10213 0.25000 1.00000
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