Pm12CoSi6
Alexandria ALEXAlex-ID: agm003688331 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_44_spg148
PmCoSi Pm3Si2 Pm
2022-04-13 06:24:27.344758
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003688331).
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 agm003688331
data_agm003688331
_cell_length_a 8.43040
_cell_length_b 8.43040
_cell_length_c 8.43040
_cell_angle_alpha 99.43897
_cell_angle_beta 99.43897
_cell_angle_gamma 99.43897
_cell_volume 571.71969
_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 0.81472 0.57218 0.43098 1.00000
Pm2 Pm 0.43098 0.81472 0.57218 1.00000
Pm3 Pm 0.57218 0.43098 0.81472 1.00000
Pm4 Pm 0.18528 0.42782 0.56902 1.00000
Pm5 Pm 0.56902 0.18528 0.42782 1.00000
Pm6 Pm 0.42782 0.56902 0.18528 1.00000
Pm7 Pm 0.06445 0.96191 0.31608 1.00000
Pm8 Pm 0.03809 0.68392 0.93555 1.00000
Pm9 Pm 0.68392 0.93555 0.03809 1.00000
Pm10 Pm 0.93555 0.03809 0.68392 1.00000
Pm11 Pm 0.96191 0.31608 0.06445 1.00000
Pm12 Pm 0.31608 0.06445 0.96191 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.69879 0.87235 0.37760 1.00000
Si2 Si 0.62240 0.30121 0.12765 1.00000
Si3 Si 0.12765 0.62240 0.30121 1.00000
Si4 Si 0.30121 0.12765 0.62240 1.00000
Si5 Si 0.37760 0.69879 0.87235 1.00000
Si6 Si 0.87235 0.37760 0.69879 1.00000
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