Tb2Pm3ThSb6
Alexandria ALEXAlex-ID: agm056122011 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Pm5ThSb6 Tb5ThSb6
2025-01-19 05:20:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm056122011).
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 agm056122011
data_agm056122011
_cell_length_a 7.73176
_cell_length_b 7.73176
_cell_length_c 7.74335
_cell_angle_alpha 80.40058
_cell_angle_beta 99.59942
_cell_angle_gamma 60.04625
_cell_volume 378.13733
_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 0.33302 0.33302 0.00000 1.00000
Tb2 Tb 0.66698 0.66698 0.00000 1.00000
Pm1 Pm 0.16549 0.16549 0.50000 1.00000
Pm2 Pm 0.83451 0.83451 0.50000 1.00000
Pm3 Pm 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.41867 0.91765 0.24683 1.00000
Sb2 Sb 0.25489 0.74511 0.75501 1.00000
Sb3 Sb 0.58133 0.08235 0.75317 1.00000
Sb4 Sb 0.08235 0.58133 0.24683 1.00000
Sb5 Sb 0.74511 0.25489 0.24499 1.00000
Sb6 Sb 0.91765 0.41867 0.75317 1.00000
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