Hf2Np3Fe2
Alexandria ALEXAlex-ID: agm010036090 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_21_spg12
Np HfFe
2024-03-25 09:19:39.228391
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010036090).
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 agm010036090
data_agm010036090
_cell_length_a 3.85140
_cell_length_b 5.39161
_cell_length_c 7.18850
_cell_angle_alpha 97.74528
_cell_angle_beta 105.54893
_cell_angle_gamma 110.92669
_cell_volume 129.83984
_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
Hf1 Hf 0.64569 0.50037 0.79131 1.00000
Hf2 Hf 0.35431 0.49963 0.20869 1.00000
Np1 Np 0.50000 0.00000 0.00000 1.00000
Np2 Np 0.20920 0.87502 0.54365 1.00000
Np3 Np 0.79080 0.12498 0.45635 1.00000
Fe1 Fe 0.03485 0.90806 0.16123 1.00000
Fe2 Fe 0.96515 0.09194 0.83877 1.00000
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