Tl(TcO3)2
Alexandria ALEXAlex-ID: agm097907446 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1505_spg12
TlTcO4 TcO2
2025-04-07 05:29:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097907446).
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
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# CIF generated by HEAS from Alexandria entry agm097907446
data_agm097907446
_cell_length_a 4.91067
_cell_length_b 4.96960
_cell_length_c 8.12259
_cell_angle_alpha 90.18785
_cell_angle_beta 89.87962
_cell_angle_gamma 82.46682
_cell_volume 196.51202
_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 0.85252 0.40260 0.24968 1.00000
Tc1 Tc 0.21172 0.76088 0.90922 1.00000
Tc2 Tc 0.20591 0.76903 0.59084 1.00000
O1 O 0.42962 0.53124 0.02625 1.00000
O2 O 0.41949 0.54527 0.46607 1.00000
O3 O 0.98621 0.97298 0.03392 1.00000
O4 O 0.01600 0.57592 0.74932 1.00000
O5 O 0.97634 0.98747 0.47395 1.00000
O6 O 0.40219 0.95460 0.75075 1.00000
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