Np3Sc3In5
Alexandria ALEXAlex-ID: agm008356705 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C5_97_spg1
ScIn2 ScIn Np
2024-03-07 21:13:58.361544
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008356705).
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 agm008356705
data_agm008356705
_cell_length_a 5.42819
_cell_length_b 7.06740
_cell_length_c 7.53940
_cell_angle_alpha 111.55327
_cell_angle_beta 97.05604
_cell_angle_gamma 101.88004
_cell_volume 256.91394
_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 0.77895 0.08642 0.10494 1.00000
Np2 Np 0.44810 0.76388 0.90509 1.00000
Np3 Np 0.03189 0.92402 0.85974 1.00000
Sc1 Sc 0.63821 0.46292 0.54135 1.00000
Sc2 Sc 0.53898 0.09879 0.71214 1.00000
Sc3 Sc 0.91176 0.55288 0.01634 1.00000
In1 In 0.07757 0.28339 0.64067 1.00000
In2 In 0.73821 0.81946 0.38022 1.00000
In3 In 0.16696 0.61889 0.44899 1.00000
In4 In 0.38505 0.38191 0.09333 1.00000
In5 In 0.28431 0.00742 0.29718 1.00000
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