KLi(TcO4)2
Alexandria ALEXAlex-ID: agm004874992 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_514_spg12
LiTcO4 KTcO4
2023-01-01 22:26:39.738874
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004874992).
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 agm004874992
data_agm004874992
_cell_length_a 5.63942
_cell_length_b 6.60569
_cell_length_c 7.41930
_cell_angle_alpha 62.28979
_cell_angle_beta 67.66315
_cell_angle_gamma 64.73149
_cell_volume 215.50977
_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
K1 K 0.50000 0.50000 0.50000 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.30661 0.22024 0.16654 1.00000
Tc2 Tc 0.69339 0.77976 0.83346 1.00000
O1 O 0.85471 0.63612 0.65446 1.00000
O2 O 0.67242 0.56889 0.08626 1.00000
O3 O 0.14529 0.36388 0.34554 1.00000
O4 O 0.32758 0.43111 0.91374 1.00000
O5 O 0.62986 0.03519 0.20362 1.00000
O6 O 0.37014 0.96481 0.79638 1.00000
O7 O 0.13133 0.03519 0.20362 1.00000
O8 O 0.86867 0.96481 0.79638 1.00000
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