CoTcO4F
Alexandria ALEXAlex-ID: agm005049321 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_771_spg11
Co(TcO4)2 CoF2
2022-07-16 01:09:33.645788
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005049321).
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 agm005049321
data_agm005049321
_cell_length_a 5.42090
_cell_length_b 5.82389
_cell_length_c 7.60652
_cell_angle_alpha 90.00000
_cell_angle_beta 120.39543
_cell_angle_gamma 90.00000
_cell_volume 207.13666
_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
Co1 Co 0.79178 0.75000 0.46185 1.00000
Co2 Co 0.20822 0.25000 0.53815 1.00000
Tc1 Tc 0.16283 0.75000 0.28105 1.00000
Tc2 Tc 0.83717 0.25000 0.71895 1.00000
O1 O 0.00295 0.49151 0.67178 1.00000
O2 O 0.99705 0.99151 0.32822 1.00000
O3 O 0.99705 0.50849 0.32822 1.00000
O4 O 0.00295 0.00849 0.67178 1.00000
O5 O 0.41943 0.75000 0.19766 1.00000
O6 O 0.58057 0.25000 0.80234 1.00000
O7 O 0.47570 0.75000 0.53474 1.00000
O8 O 0.52430 0.25000 0.46526 1.00000
F1 F 0.88075 0.75000 0.99457 1.00000
F2 F 0.11925 0.25000 0.00543 1.00000
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