Pm6Ge2Se3Cl
Alexandria ALEXAlex-ID: agm004594875 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_214_spg12
Pm5Ge3 Pm3GeCl3 Pm3GeSe2 Pm
2022-06-27 01:42:15.201261
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004594875).
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 agm004594875
data_agm004594875
_cell_length_a 4.21028
_cell_length_b 8.49071
_cell_length_c 9.43357
_cell_angle_alpha 102.48066
_cell_angle_beta 102.89435
_cell_angle_gamma 90.00000
_cell_volume 320.54884
_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 0.32730 0.90108 0.65461 1.00000
Pm2 Pm 0.66902 0.57875 0.33805 1.00000
Pm3 Pm 0.67270 0.09892 0.34539 1.00000
Pm4 Pm 0.00601 0.26915 0.01202 1.00000
Pm5 Pm 0.99399 0.73085 0.98798 1.00000
Pm6 Pm 0.33098 0.42125 0.66195 1.00000
Ge1 Ge 0.83415 0.66872 0.66829 1.00000
Ge2 Ge 0.16585 0.33128 0.33171 1.00000
Se1 Se 0.50000 0.50000 0.00000 1.00000
Se2 Se 0.83774 0.16326 0.67548 1.00000
Se3 Se 0.16226 0.83674 0.32452 1.00000
Cl1 Cl 0.50000 0.00000 0.00000 1.00000
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