Er3MgCu14
Alexandria ALEXAlex-ID: agm022367147 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C14_2_spg160
Er2Cu7 ErMgCu4 Cu
2024-12-05 13:40:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022367147).
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 agm022367147
data_agm022367147
_cell_length_a 12.44461
_cell_length_b 12.44461
_cell_length_c 12.44461
_cell_angle_alpha 23.58761
_cell_angle_beta 23.58761
_cell_angle_gamma 23.58761
_cell_volume 271.02500
_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 0.05086 0.05086 0.05086 1.00000
Er2 Er 0.94248 0.94248 0.94248 1.00000
Er3 Er 0.15179 0.15179 0.15179 1.00000
Mg1 Mg 0.85131 0.85131 0.85131 1.00000
Cu1 Cu 0.10812 0.61280 0.61280 1.00000
Cu2 Cu 0.61280 0.10812 0.61280 1.00000
Cu3 Cu 0.61280 0.61280 0.10812 1.00000
Cu4 Cu 0.88968 0.38900 0.38900 1.00000
Cu5 Cu 0.38900 0.88968 0.38900 1.00000
Cu6 Cu 0.38900 0.38900 0.88968 1.00000
Cu7 Cu 0.38946 0.38946 0.38946 1.00000
Cu8 Cu 0.61219 0.61219 0.61219 1.00000
Cu9 Cu 0.27811 0.27811 0.27811 1.00000
Cu10 Cu 0.72255 0.72255 0.72255 1.00000
Cu11 Cu 0.50071 0.50071 0.50071 1.00000
Cu12 Cu 0.49983 0.00130 0.49983 1.00000
Cu13 Cu 0.49983 0.49983 0.00130 1.00000
Cu14 Cu 0.00130 0.49983 0.49983 1.00000
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