Hf5(NpV)2
Alexandria ALEXAlex-ID: agm010021760 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_301_spg12
Hf Np V
2024-04-06 15:03:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010021760).
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
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# CIF generated by HEAS from Alexandria entry agm010021760
data_agm010021760
_cell_length_a 5.63286
_cell_length_b 5.63286
_cell_length_c 10.66160
_cell_angle_alpha 70.51392
_cell_angle_beta 70.51392
_cell_angle_gamma 34.68282
_cell_volume 180.35747
_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 0.32461 0.32461 0.24727 1.00000
Hf2 Hf 0.67539 0.67539 0.75273 1.00000
Hf3 Hf 0.01006 0.01006 0.35118 1.00000
Hf4 Hf 0.98994 0.98994 0.64882 1.00000
Hf5 Hf 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.30842 0.30842 0.92034 1.00000
Np2 Np 0.69158 0.69158 0.07966 1.00000
V1 V 0.31914 0.31914 0.53029 1.00000
V2 V 0.68086 0.68086 0.46971 1.00000
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