PmTlCl4
Alexandria ALEXAlex-ID: agm005759149 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_396_spg12
PmTl2Cl5 PmCl3
2023-08-05 00:27:19.080076
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759149).
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 agm005759149
data_agm005759149
_cell_length_a 4.28623
_cell_length_b 9.32864
_cell_length_c 11.66627
_cell_angle_alpha 70.73341
_cell_angle_beta 79.41456
_cell_angle_gamma 76.71854
_cell_volume 425.60320
_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 0.50000 0.50000 0.00000 1.00000
Pm2 Pm 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.75001 0.75000 0.25000 1.00000
Tl2 Tl 0.24999 0.25000 0.75000 1.00000
Cl1 Cl 0.65758 0.22274 0.96208 1.00000
Cl2 Cl 0.84240 0.27726 0.53792 1.00000
Cl3 Cl 0.45772 0.92212 0.66254 1.00000
Cl4 Cl 0.04238 0.57788 0.83746 1.00000
Cl5 Cl 0.54228 0.07788 0.33746 1.00000
Cl6 Cl 0.34242 0.77726 0.03792 1.00000
Cl7 Cl 0.15760 0.72274 0.46208 1.00000
Cl8 Cl 0.95762 0.42212 0.16254 1.00000
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