Hf2NpAs3
Alexandria ALEXAlex-ID: agm005653441 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_393_spg65
HfNpAs2 HfAs
2023-08-07 04:37:53.135021
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653441).
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 agm005653441
data_agm005653441
_cell_length_a 5.52336
_cell_length_b 5.54710
_cell_length_c 8.75903
_cell_angle_alpha 108.46048
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 254.55523
_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 0.83512 0.67024 1.00000
Hf2 Hf 0.50000 0.16488 0.32976 1.00000
Hf3 Hf 0.00000 0.00000 0.00000 1.00000
Hf4 Hf 0.50000 0.50000 0.00000 1.00000
Np1 Np 0.00000 0.33163 0.66325 1.00000
Np2 Np 0.00000 0.66837 0.33675 1.00000
As1 As 0.50000 0.33398 0.66797 1.00000
As2 As 0.00000 0.83848 0.67696 1.00000
As3 As 0.50000 0.66602 0.33203 1.00000
As4 As 0.00000 0.16152 0.32304 1.00000
As5 As 0.00000 0.50000 0.00000 1.00000
As6 As 0.50000 0.00000 0.00000 1.00000
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