HfNpF7
Alexandria ALEXAlex-ID: agm024221522 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
HfNpF7
2025-01-17 23:59:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024221522).
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 agm024221522
data_agm024221522
_cell_length_a 6.19777
_cell_length_b 6.08156
_cell_length_c 8.55819
_cell_angle_alpha 90.00000
_cell_angle_beta 102.78900
_cell_angle_gamma 90.00000
_cell_volume 314.57369
_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 0.81094 0.75000 0.22241 1.00000
Hf2 Hf 0.18906 0.25000 0.77759 1.00000
Np1 Np 0.66037 0.75000 0.69046 1.00000
Np2 Np 0.33963 0.25000 0.30954 1.00000
F1 F 0.50000 0.50000 0.50000 1.00000
F2 F 0.50000 0.00000 0.50000 1.00000
F3 F 0.94507 0.02369 0.76033 1.00000
F4 F 0.05493 0.52369 0.23967 1.00000
F5 F 0.94507 0.47631 0.76033 1.00000
F6 F 0.05493 0.97631 0.23967 1.00000
F7 F 0.41157 0.49344 0.79467 1.00000
F8 F 0.58843 0.99344 0.20533 1.00000
F9 F 0.77253 0.75000 0.98376 1.00000
F10 F 0.22747 0.25000 0.01624 1.00000
F11 F 0.86014 0.75000 0.46295 1.00000
F12 F 0.13986 0.25000 0.53705 1.00000
F13 F 0.41157 0.00656 0.79467 1.00000
F14 F 0.58843 0.50656 0.20533 1.00000
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