NpVF7
Alexandria ALEXAlex-ID: agm024169688 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
NpF4 VF3
2024-10-03 22:27:19.323406
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024169688).
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 agm024169688
data_agm024169688
_cell_length_a 5.61482
_cell_length_b 6.02550
_cell_length_c 8.14172
_cell_angle_alpha 78.73504
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 270.14458
_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 0.70496 0.83183 0.19822 1.00000
Np2 Np 0.20496 0.16817 0.80178 1.00000
V1 V 0.71109 0.69436 0.72877 1.00000
V2 V 0.21109 0.30564 0.27123 1.00000
F1 F 0.87319 0.05566 0.97734 1.00000
F2 F 0.37319 0.94434 0.02266 1.00000
F3 F 0.42377 0.56707 0.26721 1.00000
F4 F 0.92377 0.43293 0.73279 1.00000
F5 F 0.94443 0.52839 0.26229 1.00000
F6 F 0.44443 0.47161 0.73771 1.00000
F7 F 0.00726 0.03341 0.28769 1.00000
F8 F 0.50726 0.96659 0.71231 1.00000
F9 F 0.69948 0.74284 0.48383 1.00000
F10 F 0.19948 0.25716 0.51617 1.00000
F11 F 0.70780 0.64085 0.97230 1.00000
F12 F 0.20780 0.35915 0.02770 1.00000
F13 F 0.50438 0.11823 0.27747 1.00000
F14 F 0.00438 0.88177 0.72253 1.00000
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