Nd2ErAu2
Alexandria ALEXAlex-ID: agm003404993 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1206_spg71
Nd2Au ErAu
2022-02-11 05:55:34.167793
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003404993).
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 agm003404993
data_agm003404993
_cell_length_a 4.00493
_cell_length_b 6.36062
_cell_length_c 6.36062
_cell_angle_alpha 67.81080
_cell_angle_beta 71.64989
_cell_angle_gamma 71.64989
_cell_volume 138.81737
_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
Nd1 Nd 0.19905 0.30095 0.30095 1.00000
Nd2 Nd 0.80095 0.69905 0.69905 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.50000 0.29056 0.70944 1.00000
Au2 Au 0.50000 0.70944 0.29056 1.00000
