Pm3(PrSi2)2
Alexandria ALEXAlex-ID: agm005680418 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1306_spg14
Pm(PrSi)2 PmSi
2023-06-28 08:32:04.410735
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680418).
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 agm005680418
data_agm005680418
_cell_length_a 7.76164
_cell_length_b 7.86777
_cell_length_c 7.92820
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.43379
_cell_volume 466.69080
_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
Pm1 Pm 0.00000 0.50000 0.50000 1.00000
Pm2 Pm 0.50000 0.50000 0.00000 1.00000
Pm3 Pm 0.75491 0.24099 0.81736 1.00000
Pm4 Pm 0.74509 0.75901 0.31736 1.00000
Pm5 Pm 0.24509 0.75901 0.18264 1.00000
Pm6 Pm 0.25491 0.24099 0.68264 1.00000
Pr1 Pr 0.59600 0.20454 0.31650 1.00000
Pr2 Pr 0.90400 0.79546 0.81650 1.00000
Pr3 Pr 0.40400 0.79546 0.68350 1.00000
Pr4 Pr 0.09600 0.20454 0.18350 1.00000
Si1 Si 0.88856 0.08228 0.52637 1.00000
Si2 Si 0.61144 0.91772 0.02637 1.00000
Si3 Si 0.11144 0.91772 0.47363 1.00000
Si4 Si 0.38856 0.08228 0.97363 1.00000
Si5 Si 0.88259 0.49415 0.11502 1.00000
Si6 Si 0.61741 0.50585 0.61502 1.00000
Si7 Si 0.11741 0.50585 0.88498 1.00000
Si8 Si 0.38259 0.49415 0.38498 1.00000
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