Pm6SiGe5
Alexandria ALEXAlex-ID: agm003674969 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
PmSi PmGe
2022-04-10 03:08:05.924806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003674969).
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 agm003674969
data_agm003674969
_cell_length_a 7.34264
_cell_length_b 7.42740
_cell_length_c 7.36152
_cell_angle_alpha 59.70350
_cell_angle_beta 80.43699
_cell_angle_gamma 70.77267
_cell_volume 327.30688
_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 0.75185 0.08255 0.33108 1.00000
Pm2 Pm 0.24815 0.58636 0.33108 1.00000
Pm3 Pm 0.24881 0.24781 1.00000 1.00000
Pm4 Pm 0.75119 0.75219 0.00000 1.00000
Pm5 Pm 0.75185 0.41364 0.66892 1.00000
Pm6 Pm 0.24815 0.91745 0.66892 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.16797 0.66406 1.00000
Ge2 Ge 0.00000 0.33358 0.33284 1.00000
Ge3 Ge 0.50000 0.50000 0.00000 1.00000
Ge4 Ge 0.00000 0.66642 0.66716 1.00000
Ge5 Ge 0.50000 0.83203 0.33594 1.00000
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