Tb2Br2O
Alexandria ALEXAlex-ID: agm005876965 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_141_spg12
TbBrO TbBr3 Tb
2023-08-04 03:43:46.664393
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005876965).
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 agm005876965
data_agm005876965
_cell_length_a 3.89730
_cell_length_b 6.84669
_cell_length_c 10.86778
_cell_angle_alpha 95.41704
_cell_angle_beta 100.32932
_cell_angle_gamma 90.00000
_cell_volume 283.97514
_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
Tb1 Tb 0.18193 0.88217 0.36386 1.00000
Tb2 Tb 0.81807 0.11783 0.63614 1.00000
Tb3 Tb 0.31555 0.59032 0.63110 1.00000
Tb4 Tb 0.68445 0.40968 0.36890 1.00000
Br1 Br 0.09702 0.19395 0.19405 1.00000
Br2 Br 0.90298 0.80605 0.80595 1.00000
Br3 Br 0.40973 0.29854 0.81946 1.00000
Br4 Br 0.59027 0.70146 0.18054 1.00000
O1 O 0.20956 0.57348 0.41912 1.00000
O2 O 0.79044 0.42652 0.58088 1.00000
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