Nd2ErAu4
Alexandria ALEXAlex-ID: agm006014638 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2702_spg139
ErAu2 NdAu
2023-10-13 21:45:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014638).
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 agm006014638
data_agm006014638
_cell_length_a 5.26428
_cell_length_b 5.26428
_cell_length_c 7.53279
_cell_angle_alpha 110.45211
_cell_angle_beta 110.45211
_cell_angle_gamma 90.00000
_cell_volume 181.48449
_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 0.72086 0.72086 0.44172 1.00000
Nd2 Nd 0.27914 0.27914 0.55828 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.38670 0.88670 0.77340 1.00000
Au2 Au 0.88670 0.38670 0.77340 1.00000
Au3 Au 0.61330 0.11330 0.22660 1.00000
Au4 Au 0.11330 0.61330 0.22660 1.00000
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