Pr(SbAu)2
Alexandria ALEXAlex-ID: agm003395166 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_200_spg63
Sb2Au Pr14Au51 Pr3Sb4Au3
2022-02-11 20:33:10.594236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003395166).
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 agm003395166
data_agm003395166
_cell_length_a 4.49096
_cell_length_b 4.47285
_cell_length_c 12.34468
_cell_angle_alpha 90.00000
_cell_angle_beta 100.48037
_cell_angle_gamma 90.00000
_cell_volume 243.83540
_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
Pr1 Pr 0.35367 0.25000 0.70734 1.00000
Pr2 Pr 0.64633 0.75000 0.29266 1.00000
Sb1 Sb 0.74964 0.25000 0.49929 1.00000
Sb2 Sb 0.25036 0.75000 0.50071 1.00000
Sb3 Sb 0.88671 0.75000 0.77343 1.00000
Sb4 Sb 0.11329 0.25000 0.22657 1.00000
Au1 Au 0.03958 0.75000 0.07915 1.00000
Au2 Au 0.46002 0.75000 0.92004 1.00000
Au3 Au 0.96042 0.25000 0.92085 1.00000
Au4 Au 0.53998 0.25000 0.07996 1.00000
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