Y4ZnFe
Alexandria ALEXAlex-ID: agm005803944 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1160_spg15
Y2Zn Y YFe2
2023-07-28 06:48:39.594790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803944).
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 agm005803944
data_agm005803944
_cell_length_a 6.13800
_cell_length_b 7.44748
_cell_length_c 7.44748
_cell_angle_alpha 111.23086
_cell_angle_beta 98.29189
_cell_angle_gamma 98.29185
_cell_volume 306.81590
_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
Y1 Y 0.91106 0.62723 0.78981 1.00000
Y2 Y 0.03619 0.93749 0.27006 1.00000
Y3 Y 0.58894 0.21019 0.37277 1.00000
Y4 Y 0.46381 0.72994 0.06251 1.00000
Y5 Y 0.53619 0.27006 0.93749 1.00000
Y6 Y 0.41106 0.78981 0.62723 1.00000
Y7 Y 0.96381 0.06251 0.72994 1.00000
Y8 Y 0.08894 0.37277 0.21019 1.00000
Zn1 Zn 0.75000 0.62920 0.37080 1.00000
Zn2 Zn 0.25000 0.37080 0.62920 1.00000
Fe1 Fe 0.25000 0.99747 0.00253 1.00000
Fe2 Fe 0.75000 0.00253 0.99747 1.00000
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