Np2VH6
Alexandria ALEXAlex-ID: agm005778903 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_729_spg225
V3H2 Np NpH3
2023-07-07 09:33:58.031455
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778903).
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 agm005778903
data_agm005778903
_cell_length_a 4.95919
_cell_length_b 4.96003
_cell_length_c 7.01332
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00511
_cell_angle_gamma 90.00000
_cell_volume 172.51165
_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 0.99998 0.50012 0.74996 1.00000
Np2 Np 0.50002 0.00012 0.75004 1.00000
Np3 Np 0.49998 0.99988 0.24996 1.00000
Np4 Np 0.00002 0.49988 0.25004 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
H1 H 0.00004 0.99965 0.24217 1.00000
H2 H 0.74205 0.74227 0.50002 1.00000
H3 H 0.75778 0.75790 0.00007 1.00000
H4 H 0.74222 0.25790 0.49993 1.00000
H5 H 0.75795 0.24227 0.99998 1.00000
H6 H 0.49996 0.49965 0.25783 1.00000
H7 H 0.99996 0.00035 0.75783 1.00000
H8 H 0.25795 0.25773 0.49998 1.00000
H9 H 0.24222 0.24210 0.99993 1.00000
H10 H 0.25778 0.74210 0.50007 1.00000
H11 H 0.24205 0.75773 0.00002 1.00000
H12 H 0.50004 0.50035 0.74217 1.00000
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