PmTeS
Alexandria ALEXAlex-ID: agm005672502 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9433_spg71
PmTe3 Pm2S3
2023-06-20 15:48:20.118637
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672502).
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 agm005672502
data_agm005672502
_cell_length_a 7.85154
_cell_length_b 7.85154
_cell_length_c 7.85154
_cell_angle_alpha 148.90063
_cell_angle_beta 136.95235
_cell_angle_gamma 54.05142
_cell_volume 169.62698
_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 0.66109 0.66109 0.00000 1.00000
Pm2 Pm 0.33891 0.33891 0.00000 1.00000
Te1 Te 0.75269 0.00000 0.75269 1.00000
Te2 Te 0.24731 0.00000 0.24731 1.00000
S1 S 0.78660 0.28660 0.50000 1.00000
S2 S 0.21340 0.71340 0.50000 1.00000
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