TlP
Alexandria ALEXAlex-ID: agm005492970 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1696_spg62
TlP5 Tl
2023-03-19 03:22:53.295599
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005492970).
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 agm005492970
data_agm005492970
_cell_length_a 4.36342
_cell_length_b 7.21475
_cell_length_c 8.47138
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 266.68721
_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
Tl1 Tl 0.75000 0.41025 0.17507 1.00000
Tl2 Tl 0.25000 0.91025 0.32493 1.00000
Tl3 Tl 0.75000 0.08975 0.67507 1.00000
Tl4 Tl 0.25000 0.58975 0.82493 1.00000
P1 P 0.75000 0.11731 0.35136 1.00000
P2 P 0.25000 0.61731 0.14864 1.00000
P3 P 0.75000 0.38269 0.85136 1.00000
P4 P 0.25000 0.88269 0.64864 1.00000
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