CsTc2PbO8
Alexandria ALEXAlex-ID: agm004875389 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_328_spg12
CsTcO4 Tc2PbO8 TcO2 PbO
2023-01-07 15:13:49.031151
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875389).
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 agm004875389
data_agm004875389
_cell_length_a 6.26716
_cell_length_b 6.27468
_cell_length_c 8.00410
_cell_angle_alpha 65.91458
_cell_angle_beta 66.95232
_cell_angle_gamma 60.03960
_cell_volume 241.84345
_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
Tc1 Tc 0.27889 0.27240 0.16982 1.00000
Tc2 Tc 0.72111 0.72760 0.83018 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
O1 O 0.90019 0.44288 0.75674 1.00000
O2 O 0.64265 0.63865 0.07605 1.00000
O3 O 0.09981 0.55712 0.24326 1.00000
O4 O 0.35735 0.36135 0.92395 1.00000
O5 O 0.56725 0.08950 0.24305 1.00000
O6 O 0.43275 0.91050 0.75695 1.00000
O7 O 0.10020 0.08950 0.24305 1.00000
O8 O 0.89980 0.91050 0.75695 1.00000
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