Pr3Si4Ag7
Alexandria ALEXAlex-ID: agm005696166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Pr2Si3Ag Pr14Ag51 Ag
2023-06-29 17:19:46.379822
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696166).
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 agm005696166
data_agm005696166
_cell_length_a 4.40608
_cell_length_b 8.48539
_cell_length_c 8.57264
_cell_angle_alpha 69.48919
_cell_angle_beta 75.10877
_cell_angle_gamma 74.95206
_cell_volume 284.97069
_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 0.30520 0.19013 0.19946 1.00000
Pr2 Pr 0.69480 0.80987 0.80054 1.00000
Pr3 Pr 0.00000 0.50000 0.50000 1.00000
Si1 Si 0.65845 0.45383 0.22928 1.00000
Si2 Si 0.34155 0.54617 0.77072 1.00000
Si3 Si 0.88062 0.90588 0.33288 1.00000
Si4 Si 0.11938 0.09412 0.66712 1.00000
Ag1 Ag 0.32464 0.83018 0.52053 1.00000
Ag2 Ag 0.49151 0.21936 0.79763 1.00000
Ag3 Ag 0.84183 0.39772 0.91863 1.00000
Ag4 Ag 0.67536 0.16982 0.47947 1.00000
Ag5 Ag 0.15817 0.60228 0.08137 1.00000
Ag6 Ag 0.00000 0.00000 0.00000 1.00000
Ag7 Ag 0.50849 0.78064 0.20237 1.00000
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