Dy5PSe4
Alexandria ALEXAlex-ID: agm057972098 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_30_spg160
Dy4PSe3 Dy6PSe5
2024-12-06 03:32:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm057972098).
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
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# CIF generated by HEAS from Alexandria entry agm057972098
data_agm057972098
_cell_length_a 16.78885
_cell_length_b 16.78885
_cell_length_c 16.78885
_cell_angle_alpha 13.87986
_cell_angle_beta 13.87986
_cell_angle_gamma 13.87986
_cell_volume 236.98708
_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 0.60038 0.60038 0.60038 1.00000
Dy2 Dy 0.39962 0.39962 0.39962 1.00000
Dy3 Dy 0.00000 0.00000 0.00000 1.00000
Dy4 Dy 0.19688 0.19688 0.19688 1.00000
Dy5 Dy 0.80312 0.80312 0.80312 1.00000
P1 P 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.10046 0.10046 0.10046 1.00000
Se2 Se 0.70008 0.70008 0.70008 1.00000
Se3 Se 0.29992 0.29992 0.29992 1.00000
Se4 Se 0.89954 0.89954 0.89954 1.00000
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