PmTl2GeSe4
Alexandria ALEXAlex-ID: agm004853545 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_272_spg15
TlGeSe2 PmTlSe2
2023-01-22 00:22:12.242509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004853545).
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 agm004853545
data_agm004853545
_cell_length_a 8.63293
_cell_length_b 8.63293
_cell_length_c 8.53631
_cell_angle_alpha 119.63149
_cell_angle_beta 119.63148
_cell_angle_gamma 90.42703
_cell_volume 453.17073
_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 0.00000 0.50000 0.00000 1.00000
Pm2 Pm 1.00000 0.50000 0.50000 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Tl2 Tl 0.50000 0.00000 0.50000 1.00000
Tl3 Tl 1.00000 0.00000 0.50000 1.00000
Tl4 Tl 0.50000 0.50000 1.00000 1.00000
Ge1 Ge 0.49999 0.50000 0.50000 1.00000
Ge2 Ge 0.99999 1.00000 0.99999 1.00000
Se1 Se 0.21343 0.74715 0.98029 1.00000
Se2 Se 0.75285 0.28657 0.51971 1.00000
Se3 Se 0.24715 0.71343 0.48029 1.00000
Se4 Se 0.78657 0.25285 0.01971 1.00000
Se5 Se 0.75966 0.74034 0.97132 1.00000
Se6 Se 0.75966 0.74034 0.52868 1.00000
Se7 Se 0.24034 0.25967 0.47132 1.00000
Se8 Se 0.24034 0.25966 0.02868 1.00000
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