TbPa2Sb3
Alexandria ALEXAlex-ID: agm034384432 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Pa3Sb Pa3Sb4 TbSb
2025-04-14 07:04:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034384432).
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 agm034384432
data_agm034384432
_cell_length_a 14.51105
_cell_length_b 13.83580
_cell_length_c 7.58881
_cell_angle_alpha 79.44991
_cell_angle_beta 69.61095
_cell_angle_gamma 30.93914
_cell_volume 712.77267
_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 0.91664 0.91664 0.08336 1.00000
Tb2 Tb 0.33336 0.33336 0.16664 1.00000
Tb3 Tb 0.16664 0.16664 0.33336 1.00000
Tb4 Tb 0.08336 0.08336 0.91664 1.00000
Pa1 Pa 0.00004 0.00004 0.49996 1.00000
Pa2 Pa 0.41649 0.41649 0.58351 1.00000
Pa3 Pa 0.83351 0.83351 0.66649 1.00000
Pa4 Pa 0.24996 0.24996 0.75004 1.00000
Pa5 Pa 0.75004 0.75004 0.24996 1.00000
Pa6 Pa 0.66649 0.66649 0.83351 1.00000
Pa7 Pa 0.58351 0.58351 0.41649 1.00000
Pa8 Pa 0.49996 0.49996 0.00004 1.00000
Sb1 Sb 0.66636 0.16682 0.83401 1.00000
Sb2 Sb 0.16682 0.66636 0.33281 1.00000
Sb3 Sb 0.58364 0.08318 0.41599 1.00000
Sb4 Sb 0.08318 0.58364 0.91719 1.00000
Sb5 Sb 0.49932 0.00068 0.00068 1.00000
Sb6 Sb 0.00068 0.49932 0.49932 1.00000
Sb7 Sb 0.91719 0.41599 0.08318 1.00000
Sb8 Sb 0.41599 0.91719 0.58364 1.00000
Sb9 Sb 0.33281 0.83401 0.16682 1.00000
Sb10 Sb 0.83401 0.33281 0.66636 1.00000
Sb11 Sb 0.75068 0.24932 0.24932 1.00000
Sb12 Sb 0.24932 0.75068 0.75068 1.00000
