Hf3Np(UAs3)2
Alexandria ALEXAlex-ID: agm034263488 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_166_spg12
Hf4NpU3As8 HfNpAs2
2024-08-05 08:59:23.632009
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034263488).
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 agm034263488
data_agm034263488
_cell_length_a 8.87960
_cell_length_b 8.87960
_cell_length_c 7.95157
_cell_angle_alpha 76.00010
_cell_angle_beta 76.00010
_cell_angle_gamma 25.56503
_cell_volume 262.09831
_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 0.50000 0.50000 0.00000 1.00000
Hf2 Hf 0.16549 0.16549 0.66678 1.00000
Hf3 Hf 0.83451 0.83451 0.33322 1.00000
Np1 Np 0.50000 0.50000 0.50000 1.00000
U1 U 0.16733 0.16733 0.16593 1.00000
U2 U 0.83267 0.83267 0.83407 1.00000
As1 As 0.67111 0.67111 0.42554 1.00000
As2 As 0.33747 0.33747 0.09328 1.00000
As3 As 0.32889 0.32889 0.57446 1.00000
As4 As 0.00311 0.00311 0.76007 1.00000
As5 As 0.99689 0.99689 0.23993 1.00000
As6 As 0.66253 0.66253 0.90672 1.00000
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