Pm3(GaSi2)2
Alexandria ALEXAlex-ID: agm003338136 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_277_spg12
PmGaSi Pm3Si5 Si
2022-01-30 04:17:35.288843
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003338136).
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 agm003338136
data_agm003338136
_cell_length_a 4.21966
_cell_length_b 5.85207
_cell_length_c 8.22572
_cell_angle_alpha 99.89484
_cell_angle_beta 90.00000
_cell_angle_gamma 111.13259
_cell_volume 186.22060
_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 0.66572 0.33145 0.67002 1.00000
Pm2 Pm 0.00000 0.00000 0.00000 1.00000
Pm3 Pm 0.33428 0.66855 0.32998 1.00000
Ga1 Ga 0.61156 0.22312 0.27652 1.00000
Ga2 Ga 0.38844 0.77688 0.72348 1.00000
Si1 Si 0.72368 0.44736 0.04965 1.00000
Si2 Si 0.27632 0.55264 0.95035 1.00000
Si3 Si 0.94256 0.88512 0.60807 1.00000
Si4 Si 0.05744 0.11488 0.39193 1.00000
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