Tc2BiO8
Alexandria ALEXAlex-ID: agm005867656 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_218_spg12
TcBiO4 Tc3BiO12
2023-09-28 15:29:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005867656).
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 agm005867656
data_agm005867656
_cell_length_a 5.68802
_cell_length_b 6.39156
_cell_length_c 6.39156
_cell_angle_alpha 89.40393
_cell_angle_beta 84.78029
_cell_angle_gamma 84.78028
_cell_volume 230.44343
_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
Tc1 Tc 0.36727 0.24036 0.24036 1.00000
Tc2 Tc 0.63273 0.75964 0.75964 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
O1 O 0.77377 0.70537 0.99778 1.00000
O2 O 0.77377 0.99778 0.70537 1.00000
O3 O 0.22623 0.29463 0.00222 1.00000
O4 O 0.72648 0.57370 0.57370 1.00000
O5 O 0.22623 0.00222 0.29463 1.00000
O6 O 0.68054 0.18967 0.18967 1.00000
O7 O 0.31946 0.81033 0.81033 1.00000
O8 O 0.27352 0.42630 0.42630 1.00000
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