Tb4PtSe2Br
Alexandria ALEXAlex-ID: agm004854005 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
Tb6PtSe5 Tb5Pt3 Tb2SeBr2 Tb2Pt
2022-07-20 10:40:13.728831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004854005).
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 agm004854005
data_agm004854005
_cell_length_a 3.99062
_cell_length_b 7.29770
_cell_length_c 7.27541
_cell_angle_alpha 72.22017
_cell_angle_beta 89.99973
_cell_angle_gamma 89.99969
_cell_volume 201.75693
_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 0.00000 0.76104 0.72682 1.00000
Tb2 Tb 1.00000 0.23896 0.27318 1.00000
Tb3 Tb 0.50000 0.73428 0.27492 1.00000
Tb4 Tb 0.50000 0.26572 0.72508 1.00000
Pt1 Pt 0.00000 0.49999 0.50000 1.00000
Se1 Se 0.00000 0.00000 1.00000 1.00000
Se2 Se 0.50000 0.00000 0.50000 1.00000
Br1 Br 0.50000 0.50000 1.00000 1.00000
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