Th2TlTc
Alexandria ALEXAlex-ID: agm077640653 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
Th5TlTc2 ThTl3 ThTc2
2025-01-10 09:57:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077640653).
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 agm077640653
data_agm077640653
_cell_length_a 7.51723
_cell_length_b 7.67563
_cell_length_c 15.32850
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 884.44612
_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
Th1 Th 0.00280 0.77730 0.04192 1.00000
Th2 Th 0.99720 0.22270 0.95808 1.00000
Th3 Th 0.99720 0.27730 0.45808 1.00000
Th4 Th 0.00280 0.72270 0.54192 1.00000
Th5 Th 0.49720 0.72270 0.54192 1.00000
Th6 Th 0.50280 0.27730 0.45808 1.00000
Th7 Th 0.50280 0.22270 0.95808 1.00000
Th8 Th 0.49720 0.77730 0.04192 1.00000
Th9 Th 0.50403 0.10855 0.21582 1.00000
Th10 Th 0.49597 0.89145 0.78418 1.00000
Th11 Th 0.49597 0.60855 0.28418 1.00000
Th12 Th 0.50403 0.39145 0.71582 1.00000
Th13 Th 0.99597 0.39145 0.71582 1.00000
Th14 Th 0.00403 0.60855 0.28418 1.00000
Th15 Th 0.00403 0.89145 0.78418 1.00000
Th16 Th 0.99597 0.10855 0.21582 1.00000
Tl1 Tl 0.25000 0.42894 0.11963 1.00000
Tl2 Tl 0.75000 0.57106 0.88037 1.00000
Tl3 Tl 0.75000 0.92894 0.38037 1.00000
Tl4 Tl 0.25000 0.07106 0.61963 1.00000
Tl5 Tl 0.75000 0.43489 0.11731 1.00000
Tl6 Tl 0.25000 0.56511 0.88269 1.00000
Tl7 Tl 0.25000 0.93489 0.38269 1.00000
Tl8 Tl 0.75000 0.06511 0.61731 1.00000
Tc1 Tc 0.75000 0.05329 0.07800 1.00000
Tc2 Tc 0.25000 0.94671 0.92200 1.00000
Tc3 Tc 0.25000 0.55329 0.42200 1.00000
Tc4 Tc 0.75000 0.44671 0.57800 1.00000
Tc5 Tc 0.25000 0.80477 0.18692 1.00000
Tc6 Tc 0.75000 0.19523 0.81308 1.00000
Tc7 Tc 0.75000 0.30477 0.31308 1.00000
Tc8 Tc 0.25000 0.69523 0.68692 1.00000
