ErZnPd
Alexandria ALEXAlex-ID: agm003606342 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_33_spg12
ErZnPd
2022-03-10 07:23:36.711519
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003606342).
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
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# CIF generated by HEAS from Alexandria entry agm003606342
data_agm003606342
_cell_length_a 4.41055
_cell_length_b 5.45115
_cell_length_c 5.80026
_cell_angle_alpha 73.59893
_cell_angle_beta 67.65375
_cell_angle_gamma 66.13694
_cell_volume 116.58453
_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 0.55085 0.20280 0.69550 1.00000
Er2 Er 0.44915 0.79720 0.30450 1.00000
Zn1 Zn 0.83594 0.22782 0.10029 1.00000
Zn2 Zn 0.16406 0.77218 0.89971 1.00000
Pd1 Pd 0.16869 0.36850 0.29413 1.00000
Pd2 Pd 0.83131 0.63150 0.70587 1.00000
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