Er4ZnRu
Alexandria ALEXAlex-ID: agm005802464 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_506_spg123
Er3Ru ErZn
2023-07-31 16:44:08.941680
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802464).
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 agm005802464
data_agm005802464
_cell_length_a 3.46641
_cell_length_b 3.46641
_cell_length_c 12.27231
_cell_angle_alpha 90.00055
_cell_angle_beta 90.00055
_cell_angle_gamma 89.99999
_cell_volume 147.46427
_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 0.49998 0.49998 0.85852 1.00000
Er2 Er 0.50002 0.50002 0.14148 1.00000
Er3 Er 0.99997 0.99997 0.63095 1.00000
Er4 Er 0.00003 0.00003 0.36905 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.50000 0.50000 0.50000 1.00000
