Nd3HfZn5
Alexandria ALEXAlex-ID: agm072397965 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1225_spg8
NdZn2 Hf2Zn NdZn
2024-09-25 00:40:13.518213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072397965).
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 agm072397965
data_agm072397965
_cell_length_a 6.05029
_cell_length_b 6.05029
_cell_length_c 9.08441
_cell_angle_alpha 62.94538
_cell_angle_beta 62.94538
_cell_angle_gamma 44.26145
_cell_volume 202.18865
_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 0.90561 0.90561 0.98750 1.00000
Nd2 Nd 0.54067 0.54067 0.64599 1.00000
Nd3 Nd 0.93121 0.93121 0.36474 1.00000
Hf1 Hf 0.20236 0.20236 0.96716 1.00000
Zn1 Zn 0.76813 0.76813 0.75689 1.00000
Zn2 Zn 0.63464 0.63464 0.27840 1.00000
Zn3 Zn 0.24815 0.24815 0.62002 1.00000
Zn4 Zn 0.53379 0.53379 0.07408 1.00000
Zn5 Zn 0.24506 0.24506 0.30411 1.00000
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