Np2Zn3In
Alexandria ALEXAlex-ID: agm017376717 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2723_spg11
Np2Zn17 Np In
2025-04-14 14:57:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017376717).
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 agm017376717
data_agm017376717
_cell_length_a 4.86137
_cell_length_b 4.86137
_cell_length_c 11.60515
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 237.51891
_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
Np1 Np 0.00000 0.00000 0.61500 1.00000
Np2 Np 0.00000 0.00000 0.38500 1.00000
Np3 Np 0.00000 0.00000 0.11500 1.00000
Np4 Np 0.00000 0.00000 0.88500 1.00000
Zn1 Zn 0.66667 0.33333 0.25000 1.00000
Zn2 Zn 0.33333 0.66667 0.75000 1.00000
Zn3 Zn 0.66667 0.33333 0.49492 1.00000
Zn4 Zn 0.33333 0.66667 0.50508 1.00000
Zn5 Zn 0.33333 0.66667 0.99492 1.00000
Zn6 Zn 0.66667 0.33333 0.00508 1.00000
In1 In 0.66667 0.33333 0.75000 1.00000
In2 In 0.33333 0.66667 0.25000 1.00000
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