NpU2Ge
Alexandria ALEXAlex-ID: agm005759637 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8239_spg13
U2Ge Np
2023-07-12 05:54:01.436364
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759637).
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 agm005759637
data_agm005759637
_cell_length_a 5.19799
_cell_length_b 6.34886
_cell_length_c 9.83281
_cell_angle_alpha 90.00000
_cell_angle_beta 80.80157
_cell_angle_gamma 90.00000
_cell_volume 320.32290
_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 0.44030 0.86699 0.37829 1.00000
Np2 Np 0.55970 0.13301 0.62171 1.00000
Np3 Np 0.05970 0.86699 0.12171 1.00000
Np4 Np 0.94030 0.13301 0.87829 1.00000
U1 U 0.03444 0.34791 0.08067 1.00000
U2 U 0.96556 0.65209 0.91933 1.00000
U3 U 0.46556 0.34791 0.41933 1.00000
U4 U 0.53444 0.65209 0.58067 1.00000
U5 U 0.51100 0.33427 0.86651 1.00000
U6 U 0.48900 0.66573 0.13349 1.00000
U7 U 0.98900 0.33426 0.63349 1.00000
U8 U 0.01100 0.66574 0.36651 1.00000
Ge1 Ge 0.03173 0.86115 0.63856 1.00000
Ge2 Ge 0.96827 0.13885 0.36144 1.00000
Ge3 Ge 0.46827 0.86115 0.86144 1.00000
Ge4 Ge 0.53173 0.13885 0.13856 1.00000
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