Np2Sc5In2
Alexandria ALEXAlex-ID: agm008989294 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_301_spg12
Sc3In Sc2In Np
2024-03-07 22:24:43.814227
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008989294).
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 agm008989294
data_agm008989294
_cell_length_a 5.97782
_cell_length_b 5.97782
_cell_length_c 10.14899
_cell_angle_alpha 70.11308
_cell_angle_beta 70.11308
_cell_angle_gamma 37.66674
_cell_volume 206.80647
_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 0.29918 0.29918 0.93468 1.00000
Np2 Np 0.70082 0.70082 0.06532 1.00000
Sc1 Sc 0.98964 0.98964 0.67640 1.00000
Sc2 Sc 0.01036 0.01036 0.32360 1.00000
Sc3 Sc 0.32557 0.32557 0.23210 1.00000
Sc4 Sc 0.67443 0.67443 0.76790 1.00000
Sc5 Sc 0.00000 0.00000 0.00000 1.00000
In1 In 0.66153 0.66153 0.45214 1.00000
In2 In 0.33847 0.33847 0.54786 1.00000
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