Tm2PaSb3
Alexandria ALEXAlex-ID: agm042926652 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
Pa3Sb Pa3Sb4 TmSb
2025-04-13 17:25:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042926652).
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 agm042926652
data_agm042926652
_cell_length_a 9.70062
_cell_length_b 9.70062
_cell_length_c 9.70062
_cell_angle_alpha 154.06027
_cell_angle_beta 154.06027
_cell_angle_gamma 37.01201
_cell_volume 174.41924
_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
Tm1 Tm 0.66758 0.66758 0.00000 1.00000
Tm2 Tm 0.33242 0.33242 0.00000 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Sb2 Sb 0.83261 0.83261 0.00000 1.00000
Sb3 Sb 0.16739 0.16739 0.00000 1.00000
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