Er3PdRu2
Alexandria ALEXAlex-ID: agm033979484 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_142_spg12
Er3PdRu2
2024-11-13 13:29:40.391081
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033979484).
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 agm033979484
data_agm033979484
_cell_length_a 8.32712
_cell_length_b 8.32712
_cell_length_c 8.32712
_cell_angle_alpha 146.49995
_cell_angle_beta 131.72186
_cell_angle_gamma 60.03965
_cell_volume 235.69512
_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 0.75573 0.50000 0.25573 1.00000
Er2 Er 0.24427 0.50000 0.74427 1.00000
Er3 Er 0.41148 0.16403 0.24744 1.00000
Er4 Er 0.08341 0.83597 0.24744 1.00000
Er5 Er 0.91659 0.16403 0.75256 1.00000
Er6 Er 0.58852 0.83597 0.75256 1.00000
Pd1 Pd 0.33221 0.33221 0.00000 1.00000
Pd2 Pd 0.66779 0.66779 0.00000 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
Ru2 Ru 0.00000 0.00000 0.00000 1.00000
Ru3 Ru 0.16726 0.66726 0.50000 1.00000
Ru4 Ru 0.83274 0.33274 0.50000 1.00000
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