NpZn2Fe
Alexandria ALEXAlex-ID: agm005806380 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_199_spg11
Np2Zn17 Fe NpFe
2023-07-12 02:11:15.934438
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806380).
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 agm005806380
data_agm005806380
_cell_length_a 3.10846
_cell_length_b 9.09641
_cell_length_c 4.78031
_cell_angle_alpha 90.00001
_cell_angle_beta 109.02135
_cell_angle_gamma 90.00000
_cell_volume 127.78667
_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 0.94108 0.25000 0.38223 1.00000
Np2 Np 0.05892 0.75000 0.61777 1.00000
Zn1 Zn 0.35733 0.53493 0.21450 1.00000
Zn2 Zn 0.64267 0.46507 0.78550 1.00000
Zn3 Zn 0.35733 0.96507 0.21450 1.00000
Zn4 Zn 0.64267 0.03493 0.78550 1.00000
Fe1 Fe 0.77817 0.75000 0.05674 1.00000
Fe2 Fe 0.22183 0.25000 0.94326 1.00000
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