CsK(TcO4)2
Alexandria ALEXAlex-ID: agm004875391 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_328_spg12
CsTcO4 KTcO4
2023-01-03 18:49:46.256097
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875391).
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 agm004875391
data_agm004875391
_cell_length_a 6.35275
_cell_length_b 6.38745
_cell_length_c 8.05991
_cell_angle_alpha 65.41196
_cell_angle_beta 66.79043
_cell_angle_gamma 60.17956
_cell_volume 250.65082
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
K1 K 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.27342 0.26236 0.19080 1.00000
Tc2 Tc 0.72658 0.73764 0.80920 1.00000
O1 O 0.90042 0.46971 0.72945 1.00000
O2 O 0.64861 0.64872 0.05406 1.00000
O3 O 0.09958 0.53029 0.27055 1.00000
O4 O 0.35139 0.35128 0.94594 1.00000
O5 O 0.54635 0.08367 0.27166 1.00000
O6 O 0.45365 0.91633 0.72834 1.00000
O7 O 0.09832 0.08367 0.27166 1.00000
O8 O 0.90168 0.91633 0.72834 1.00000
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