Pm8GeS5
Alexandria ALEXAlex-ID: agm006116532 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
Pm4GeS3 Pm6S5 Pm
2023-08-11 07:54:18.791157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116532).
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
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# CIF generated by HEAS from Alexandria entry agm006116532
data_agm006116532
_cell_length_a 7.50999
_cell_length_b 7.50999
_cell_length_c 7.50999
_cell_angle_alpha 109.31664
_cell_angle_beta 109.31664
_cell_angle_gamma 109.78082
_cell_volume 326.05213
_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 0.99227 0.75035 0.11861 1.00000
Pm2 Pm 0.24965 0.36826 0.24192 1.00000
Pm3 Pm 0.62361 0.87434 0.37905 1.00000
Pm4 Pm 0.12566 0.50471 0.74926 1.00000
Pm5 Pm 0.75545 0.37639 0.25074 1.00000
Pm6 Pm 0.12634 0.00773 0.75808 1.00000
Pm7 Pm 0.63174 0.87366 0.88139 1.00000
Pm8 Pm 0.49529 0.24455 0.62095 1.00000
Ge1 Ge 0.25000 0.75000 0.50000 1.00000
S1 S 0.87201 0.25338 0.87678 1.00000
S2 S 0.74662 0.62341 0.61863 1.00000
S3 S 0.37659 0.99522 0.12322 1.00000
S4 S 0.50000 0.50000 0.00000 1.00000
S5 S 0.00478 0.12799 0.38137 1.00000
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