Er3(ZnAu)4
Alexandria ALEXAlex-ID: agm005696409 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_116_spg2
Er2Zn17 ErZnAu ErAu2
2023-07-02 02:36:22.484079
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696409).
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 agm005696409
data_agm005696409
_cell_length_a 3.51196
_cell_length_b 4.39647
_cell_length_c 14.54199
_cell_angle_alpha 81.00596
_cell_angle_beta 83.04518
_cell_angle_gamma 89.89409
_cell_volume 220.10578
_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 0.14409 0.64409 0.71384 1.00000
Er2 Er 0.85594 0.35594 0.28616 1.00000
Er3 Er 0.00001 0.00001 0.00000 1.00000
Zn1 Zn 0.59577 0.09654 0.80954 1.00000
Zn2 Zn 0.25980 0.25695 0.48268 1.00000
Zn3 Zn 0.74023 0.74307 0.51732 1.00000
Zn4 Zn 0.40425 0.90349 0.19046 1.00000
Au1 Au 0.54858 0.54921 0.90152 1.00000
Au2 Au 0.45145 0.45082 0.09848 1.00000
Au3 Au 0.31208 0.81243 0.37244 1.00000
Au4 Au 0.68794 0.18760 0.62756 1.00000
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