DyNpS3
Alexandria ALEXAlex-ID: agm003710187 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4874_spg11
Dy2S3 Np2S3
2022-04-18 00:40:25.448236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003710187).
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 agm003710187
data_agm003710187
_cell_length_a 3.89414
_cell_length_b 7.76689
_cell_length_c 7.70468
_cell_angle_alpha 93.77236
_cell_angle_beta 89.99992
_cell_angle_gamma 89.99991
_cell_volume 232.52551
_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
Dy1 Dy 0.25000 0.37814 0.23702 1.00000
Dy2 Dy 0.75000 0.62186 0.76298 1.00000
Np1 Np 0.25001 0.85326 0.31904 1.00000
Np2 Np 0.74999 0.14674 0.68096 1.00000
S1 S 0.75001 0.61719 0.38066 1.00000
S2 S 0.24999 0.38281 0.61934 1.00000
S3 S 0.74999 0.32530 0.98572 1.00000
S4 S 0.25000 0.89333 0.67881 1.00000
S5 S 0.25001 0.67470 0.01428 1.00000
S6 S 0.75000 0.10667 0.32119 1.00000
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