ErZrCd
Alexandria ALEXAlex-ID: agm005689910 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_260_spg129
Zr ErCd
2023-06-19 13:16:31.931865
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689910).
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 agm005689910
data_agm005689910
_cell_length_a 3.32378
_cell_length_b 3.32357
_cell_length_c 13.41607
_cell_angle_alpha 90.00165
_cell_angle_beta 90.01803
_cell_angle_gamma 89.99371
_cell_volume 148.20462
_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 0.87236 0.29082 0.50069 1.00000
Er2 Er 0.37238 0.79158 0.01160 1.00000
Zr1 Zr 0.87227 0.29161 0.83726 1.00000
Zr2 Zr 0.37226 0.79109 0.67504 1.00000
Cd1 Cd 0.87271 0.29109 0.18199 1.00000
Cd2 Cd 0.37259 0.79051 0.33032 1.00000
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