CsTb2Br7
Alexandria ALEXAlex-ID: agm044954051 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_26_spg14
CsTb2Br7
2025-01-17 19:51:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044954051).
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 agm044954051
data_agm044954051
_cell_length_a 7.42616
_cell_length_b 13.49090
_cell_length_c 14.90627
_cell_angle_alpha 90.04220
_cell_angle_beta 90.24095
_cell_angle_gamma 89.98207
_cell_volume 1493.38027
_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 0.75084 0.79810 0.03938 1.00000
Cs2 Cs 0.24916 0.20190 0.96062 1.00000
Cs3 Cs 0.24959 0.29849 0.46018 1.00000
Cs4 Cs 0.75041 0.70151 0.53982 1.00000
Tb1 Tb 0.75240 0.45200 0.24284 1.00000
Tb2 Tb 0.24760 0.54800 0.75716 1.00000
Tb3 Tb 0.25011 0.95203 0.25736 1.00000
Tb4 Tb 0.74989 0.04797 0.74264 1.00000
Tb5 Tb 0.75113 0.15035 0.24757 1.00000
Tb6 Tb 0.24887 0.84965 0.75243 1.00000
Tb7 Tb 0.25113 0.65044 0.25262 1.00000
Tb8 Tb 0.74887 0.34956 0.74738 1.00000
Br1 Br 0.99032 0.03453 0.13284 1.00000
Br2 Br 0.00968 0.96547 0.86716 1.00000
Br3 Br 0.01172 0.53483 0.36739 1.00000
Br4 Br 0.98828 0.46517 0.63261 1.00000
Br5 Br 0.74922 0.30245 0.38782 1.00000
Br6 Br 0.25078 0.69755 0.61218 1.00000
Br7 Br 0.25163 0.80217 0.11236 1.00000
Br8 Br 0.74837 0.19783 0.88764 1.00000
Br9 Br 0.51219 0.30067 0.17685 1.00000
Br10 Br 0.48781 0.69933 0.82315 1.00000
Br11 Br 0.49160 0.80073 0.32237 1.00000
Br12 Br 0.50840 0.19927 0.67763 1.00000
Br13 Br 0.00993 0.06674 0.37072 1.00000
Br14 Br 0.99007 0.93326 0.62928 1.00000
Br15 Br 0.99276 0.56637 0.12944 1.00000
Br16 Br 0.00724 0.43363 0.87056 1.00000
Br17 Br 0.50988 0.03395 0.13337 1.00000
Br18 Br 0.49012 0.96605 0.86663 1.00000
Br19 Br 0.49217 0.53404 0.36670 1.00000
Br20 Br 0.50783 0.46596 0.63330 1.00000
Br21 Br 0.99782 0.30007 0.18255 1.00000
Br22 Br 0.00218 0.69993 0.81745 1.00000
Br23 Br 0.00598 0.80030 0.31877 1.00000
Br24 Br 0.99402 0.19970 0.68123 1.00000
Br25 Br 0.49108 0.06815 0.37007 1.00000
Br26 Br 0.50892 0.93185 0.62993 1.00000
Br27 Br 0.51159 0.56818 0.13017 1.00000
Br28 Br 0.48841 0.43182 0.86983 1.00000
