CeTcBr
Alexandria ALEXAlex-ID: agm005698923 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_317_spg166
Ce2Tc Ce2Br5 CeTc2
2023-06-17 01:29:38.979738
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698923).
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
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# CIF generated by HEAS from Alexandria entry agm005698923
data_agm005698923
_cell_length_a 4.12695
_cell_length_b 4.12695
_cell_length_c 11.77665
_cell_angle_alpha 79.90873
_cell_angle_beta 79.90873
_cell_angle_gamma 60.00001
_cell_volume 170.11183
_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
Ce1 Ce 0.43998 0.43998 0.68005 1.00000
Ce2 Ce 0.56002 0.56002 0.31995 1.00000
Tc1 Tc 0.15723 0.15723 0.52830 1.00000
Tc2 Tc 0.84277 0.84277 0.47170 1.00000
Br1 Br 0.71785 0.71785 0.84644 1.00000
Br2 Br 0.28215 0.28215 0.15356 1.00000
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