AlTl(TcO4)2
Alexandria ALEXAlex-ID: agm004875185 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_34_spg12
Al(TcO4)3 TlTcO4 Al2O3 TcO2
2023-01-01 22:25:04.994569
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875185).
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 agm004875185
data_agm004875185
_cell_length_a 5.33676
_cell_length_b 5.33676
_cell_length_c 8.07220
_cell_angle_alpha 87.17655
_cell_angle_beta 87.17655
_cell_angle_gamma 63.84072
_cell_volume 206.00802
_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
Al1 Al 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Tc1 Tc 0.63641 0.63641 0.20204 1.00000
Tc2 Tc 0.36359 0.36359 0.79796 1.00000
O1 O 0.73460 0.20649 0.83370 1.00000
O2 O 0.79671 0.79671 0.06211 1.00000
O3 O 0.68481 0.68481 0.40851 1.00000
O4 O 0.31519 0.31519 0.59149 1.00000
O5 O 0.20329 0.20329 0.93789 1.00000
O6 O 0.20649 0.73460 0.83370 1.00000
O7 O 0.79351 0.26540 0.16630 1.00000
O8 O 0.26540 0.79351 0.16630 1.00000
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