U3P2S
Alexandria ALEXAlex-ID: agm034196770 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
U5P4S U8P5S3
2024-10-25 23:14:17.128922
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034196770).
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 agm034196770
data_agm034196770
_cell_length_a 13.05925
_cell_length_b 12.44845
_cell_length_c 6.75278
_cell_angle_alpha 79.71414
_cell_angle_beta 69.70339
_cell_angle_gamma 30.58247
_cell_volume 506.99407
_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
U1 U 0.66631 0.16686 0.83410 1.00000
U2 U 0.16686 0.66631 0.33274 1.00000
U3 U 0.58369 0.08314 0.41590 1.00000
U4 U 0.08314 0.58369 0.91726 1.00000
U5 U 0.49930 0.00070 0.00070 1.00000
U6 U 0.00070 0.49930 0.49930 1.00000
U7 U 0.91726 0.41590 0.08314 1.00000
U8 U 0.41590 0.91726 0.58369 1.00000
U9 U 0.33274 0.83410 0.16686 1.00000
U10 U 0.83410 0.33274 0.66631 1.00000
U11 U 0.75070 0.24930 0.24930 1.00000
U12 U 0.24930 0.75070 0.75070 1.00000
P1 P 0.99969 0.99969 0.50031 1.00000
P2 P 0.41686 0.41686 0.58314 1.00000
P3 P 0.83314 0.83314 0.66686 1.00000
P4 P 0.25031 0.25031 0.74969 1.00000
P5 P 0.74969 0.74969 0.25031 1.00000
P6 P 0.66686 0.66686 0.83314 1.00000
P7 P 0.58314 0.58314 0.41686 1.00000
P8 P 0.50031 0.50031 0.99969 1.00000
S1 S 0.91667 0.91667 0.08333 1.00000
S2 S 0.33333 0.33333 0.16667 1.00000
S3 S 0.16667 0.16667 0.33333 1.00000
S4 S 0.08333 0.08333 0.91667 1.00000
