Nd(Zn2Ag)4
Alexandria ALEXAlex-ID: agm003672052 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
Nd2Zn15Ag2 ZnAg2 Ag
2022-04-21 08:47:08.605801
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672052).
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 agm003672052
data_agm003672052
_cell_length_a 5.41826
_cell_length_b 7.04466
_cell_length_c 7.04466
_cell_angle_alpha 81.49530
_cell_angle_beta 67.38324
_cell_angle_gamma 67.38324
_cell_volume 229.12633
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 1.00000 0.35525 0.64475 1.00000
Zn2 Zn 0.00000 0.64475 0.35525 1.00000
Zn3 Zn 0.35525 0.64475 0.64475 1.00000
Zn4 Zn 0.64475 0.35525 0.35525 1.00000
Zn5 Zn 0.50000 0.78856 0.21144 1.00000
Zn6 Zn 0.50000 0.21144 0.78856 1.00000
Zn7 Zn 0.28856 0.21144 0.21144 1.00000
Zn8 Zn 0.71144 0.78856 0.78856 1.00000
Ag1 Ag 0.00000 0.00000 0.50000 1.00000
Ag2 Ag 0.50000 0.00000 0.50000 1.00000
Ag3 Ag 0.00000 0.50000 0.00000 1.00000
Ag4 Ag 0.50000 0.50000 0.00000 1.00000
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