ThNp2As3
Alexandria ALEXAlex-ID: agm017254064 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_417_spg8
ThNp4As5 Th2NpAs3
2025-04-15 04:35:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017254064).
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 agm017254064
data_agm017254064
_cell_length_a 7.23407
_cell_length_b 7.23407
_cell_length_c 7.18796
_cell_angle_alpha 80.34148
_cell_angle_beta 99.65852
_cell_angle_gamma 59.76785
_cell_volume 306.01831
_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
Th1 Th 0.66580 0.66580 0.50000 1.00000
Th2 Th 0.33420 0.33420 0.50000 1.00000
Np1 Np 0.50000 0.50000 0.00000 1.00000
Np2 Np 0.00000 0.00000 0.50000 1.00000
Np3 Np 0.83138 0.83138 0.00000 1.00000
Np4 Np 0.16862 0.16862 0.00000 1.00000
As1 As 0.75982 0.24018 0.75927 1.00000
As2 As 0.24018 0.75982 0.24073 1.00000
As3 As 0.08518 0.58690 0.75695 1.00000
As4 As 0.41310 0.91482 0.75695 1.00000
As5 As 0.58690 0.08518 0.24305 1.00000
As6 As 0.91482 0.41310 0.24305 1.00000
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