Ac2UPdS5
Alexandria ALEXAlex-ID: agm005159473 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_248_spg36
Ac2US5 UPd8 AcPd3S4 Ac2S3
2023-01-19 13:53:00.155412
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159473).
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 agm005159473
data_agm005159473
_cell_length_a 4.06744
_cell_length_b 8.64586
_cell_length_c 12.50831
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.60487
_cell_volume 427.53078
_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
Ac1 Ac 0.88803 0.77605 0.84770 1.00000
Ac2 Ac 0.11921 0.23842 0.69910 1.00000
Ac3 Ac 0.11197 0.22395 0.34770 1.00000
Ac4 Ac 0.88079 0.76158 0.19910 1.00000
U1 U 0.82177 0.64355 0.52320 1.00000
U2 U 0.17823 0.35645 0.02320 1.00000
Pd1 Pd 0.55822 0.11643 0.91991 1.00000
Pd2 Pd 0.44178 0.88357 0.41991 1.00000
S1 S 0.34145 0.68289 0.02206 1.00000
S2 S 0.69857 0.39714 0.87251 1.00000
S3 S 0.49463 0.98926 0.74531 1.00000
S4 S 0.30424 0.60848 0.67430 1.00000
S5 S 0.97884 0.95767 0.51989 1.00000
S6 S 0.65855 0.31711 0.52206 1.00000
S7 S 0.30143 0.60286 0.37251 1.00000
S8 S 0.50537 0.01074 0.24531 1.00000
S9 S 0.69576 0.39152 0.17430 1.00000
S10 S 0.02116 0.04233 0.01989 1.00000
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