Tl(TcO3)2
Alexandria ALEXAlex-ID: agm005707675 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1854_spg15
TlTcO4 TcO2
2023-07-09 07:18:52.193910
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707675).
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 agm005707675
data_agm005707675
_cell_length_a 4.62722
_cell_length_b 9.48333
_cell_length_c 9.48334
_cell_angle_alpha 93.09254
_cell_angle_beta 91.34057
_cell_angle_gamma 91.34054
_cell_volume 415.29606
_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 0.25000 0.20038 0.79962 1.00000
Tl2 Tl 0.75000 0.79962 0.20038 1.00000
Tc1 Tc 0.17243 0.65989 0.84284 1.00000
Tc2 Tc 0.32757 0.15716 0.34011 1.00000
Tc3 Tc 0.82757 0.34011 0.15716 1.00000
Tc4 Tc 0.67243 0.84284 0.65989 1.00000
O1 O 0.28602 0.79505 0.70792 1.00000
O2 O 0.21398 0.29208 0.20495 1.00000
O3 O 0.71398 0.20495 0.29208 1.00000
O4 O 0.78602 0.70792 0.79505 1.00000
O5 O 0.72758 0.78548 0.48690 1.00000
O6 O 0.77242 0.51310 0.21452 1.00000
O7 O 0.27242 0.21452 0.51310 1.00000
O8 O 0.22758 0.48690 0.78548 1.00000
O9 O 0.24496 0.72313 0.01583 1.00000
O10 O 0.25504 0.98417 0.27687 1.00000
O11 O 0.75504 0.27687 0.98417 1.00000
O12 O 0.74496 0.01583 0.72313 1.00000
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