ErMg3(ZrCu3)2
Alexandria ALEXAlex-ID: agm045920110 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_242_spg12
MgZrCu2 Mg2Cu Er2MgCu2 ErMgCu4
2024-12-03 10:39:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045920110).
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 agm045920110
data_agm045920110
_cell_length_a 7.91265
_cell_length_b 7.91265
_cell_length_c 7.91265
_cell_angle_alpha 146.32064
_cell_angle_beta 131.89014
_cell_angle_gamma 60.00937
_cell_volume 202.63964
_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 0.50000 0.50000 0.00000 1.00000
Mg1 Mg 0.66444 0.16444 0.50000 1.00000
Mg2 Mg 0.33556 0.83556 0.50000 1.00000
Mg3 Mg 0.00000 0.50000 0.50000 1.00000
Zr1 Zr 0.83104 0.83104 0.00000 1.00000
Zr2 Zr 0.16896 0.16896 0.00000 1.00000
Cu1 Cu 0.40974 0.67077 0.73897 1.00000
Cu2 Cu 0.22964 0.00000 0.22964 1.00000
Cu3 Cu 0.59026 0.32923 0.26103 1.00000
Cu4 Cu 0.06821 0.32923 0.73897 1.00000
Cu5 Cu 0.77036 0.00000 0.77036 1.00000
Cu6 Cu 0.93179 0.67077 0.26103 1.00000
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