Nd2Zn5Ag
Alexandria ALEXAlex-ID: agm005992132 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_146_spg63
NdZn3 Nd2Zn3Ag4 NdZn2
2023-09-06 05:41:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992132).
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 agm005992132
data_agm005992132
_cell_length_a 4.40083
_cell_length_b 8.59191
_cell_length_c 9.03482
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.83895
_cell_volume 330.22688
_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 0.79886 0.59772 0.75000 1.00000
Nd2 Nd 0.20114 0.40228 0.25000 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
Nd4 Nd 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.18547 0.37093 0.89202 1.00000
Zn2 Zn 0.81453 0.62907 0.10798 1.00000
Zn3 Zn 0.18547 0.37093 0.60798 1.00000
Zn4 Zn 0.81453 0.62907 0.39202 1.00000
Zn5 Zn 0.34629 0.69258 0.98004 1.00000
Zn6 Zn 0.65371 0.30742 0.01996 1.00000
Zn7 Zn 0.34629 0.69258 0.51996 1.00000
Zn8 Zn 0.65371 0.30742 0.48004 1.00000
Zn9 Zn 0.60352 0.20705 0.75000 1.00000
Zn10 Zn 0.39648 0.79295 0.25000 1.00000
Ag1 Ag 0.44655 0.89310 0.75000 1.00000
Ag2 Ag 0.55345 0.10690 0.25000 1.00000
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