Np5Sc4
Alexandria ALEXAlex-ID: agm009487246 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_672_spg12
Sc Np
2024-03-08 03:19:43.427642
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009487246).
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 agm009487246
data_agm009487246
_cell_length_a 3.42292
_cell_length_b 8.55979
_cell_length_c 7.57607
_cell_angle_alpha 68.29302
_cell_angle_beta 74.34691
_cell_angle_gamma 87.03407
_cell_volume 198.29912
_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 0.41968 0.02907 0.30961 1.00000
Np2 Np 0.58032 0.97093 0.69039 1.00000
Np3 Np 0.07616 0.75577 0.75291 1.00000
Np4 Np 0.92384 0.24423 0.24709 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.45780 0.61940 0.12114 1.00000
Sc2 Sc 0.54220 0.38060 0.87886 1.00000
Sc3 Sc 0.21315 0.32017 0.55105 1.00000
Sc4 Sc 0.78685 0.67983 0.44895 1.00000
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