Pm6Si2TeCl3
Alexandria ALEXAlex-ID: agm004599009 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_168_spg12
Pm3Si2 Pm3SiTe2 Pm3SiCl3 Pm
2022-06-29 16:10:30.399777
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004599009).
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 agm004599009
data_agm004599009
_cell_length_a 4.27896
_cell_length_b 8.40916
_cell_length_c 9.37867
_cell_angle_alpha 100.19695
_cell_angle_beta 103.18653
_cell_angle_gamma 90.00000
_cell_volume 323.09243
_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 0.32450 0.87912 0.64900 1.00000
Pm2 Pm 0.67013 0.57444 0.34026 1.00000
Pm3 Pm 0.67550 0.12088 0.35100 1.00000
Pm4 Pm 0.01448 0.27573 0.02896 1.00000
Pm5 Pm 0.98552 0.72427 0.97104 1.00000
Pm6 Pm 0.32987 0.42556 0.65974 1.00000
Si1 Si 0.83001 0.65854 0.66002 1.00000
Si2 Si 0.16999 0.34146 0.33998 1.00000
Te1 Te 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.50000 0.50000 0.00000 1.00000
Cl2 Cl 0.83771 0.16122 0.67542 1.00000
Cl3 Cl 0.16229 0.83878 0.32458 1.00000
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