YNpF7
Alexandria ALEXAlex-ID: agm024135712 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_220_spg14
NpF4 YF3
2025-03-07 23:02:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024135712).
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 agm024135712
data_agm024135712
_cell_length_a 9.34314
_cell_length_b 6.08704
_cell_length_c 12.45031
_cell_angle_alpha 90.00000
_cell_angle_beta 117.72705
_cell_angle_gamma 90.00000
_cell_volume 626.76894
_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
Y1 Y 0.76609 0.25306 0.04457 1.00000
Y2 Y 0.23391 0.75306 0.45543 1.00000
Y3 Y 0.23391 0.74694 0.95543 1.00000
Y4 Y 0.76609 0.24694 0.54457 1.00000
Np1 Np 0.30454 0.25053 0.22726 1.00000
Np2 Np 0.69546 0.75053 0.27274 1.00000
Np3 Np 0.69546 0.74947 0.77274 1.00000
Np4 Np 0.30454 0.24947 0.72726 1.00000
F1 F 0.21405 0.50632 0.57611 1.00000
F2 F 0.78595 0.00632 0.92389 1.00000
F3 F 0.78595 0.49368 0.42389 1.00000
F4 F 0.21405 0.99368 0.07611 1.00000
F5 F 0.77694 0.54633 0.94382 1.00000
F6 F 0.22306 0.04633 0.55618 1.00000
F7 F 0.22306 0.45367 0.05618 1.00000
F8 F 0.77694 0.95367 0.44382 1.00000
F9 F 0.03165 0.24047 0.64645 1.00000
F10 F 0.96835 0.74047 0.85355 1.00000
F11 F 0.96835 0.75953 0.35355 1.00000
F12 F 0.03165 0.25953 0.14645 1.00000
F13 F 0.50563 0.24587 0.42985 1.00000
F14 F 0.49437 0.74587 0.07015 1.00000
F15 F 0.49437 0.75413 0.57015 1.00000
F16 F 0.50563 0.25413 0.92985 1.00000
F17 F 0.24097 0.99887 0.83221 1.00000
F18 F 0.75903 0.49887 0.66779 1.00000
F19 F 0.75903 0.00113 0.16779 1.00000
F20 F 0.24097 0.50113 0.33221 1.00000
F21 F 0.25244 0.97293 0.32037 1.00000
F22 F 0.74756 0.47293 0.17963 1.00000
F23 F 0.74756 0.02707 0.67963 1.00000
F24 F 0.25244 0.52707 0.82037 1.00000
F25 F 0.48243 0.54491 0.25859 1.00000
F26 F 0.51757 0.04491 0.24141 1.00000
F27 F 0.51757 0.45509 0.74141 1.00000
F28 F 0.48243 0.95509 0.75859 1.00000
