PmTm4Sb5
Alexandria ALEXAlex-ID: agm063391357 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_457_spg12
TmSb PmSb
2025-02-26 02:35:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063391357).
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 agm063391357
data_agm063391357
_cell_length_a 15.75200
_cell_length_b 15.75200
_cell_length_c 15.75200
_cell_angle_alpha 164.05955
_cell_angle_beta 164.05955
_cell_angle_gamma 22.61713
_cell_volume 294.74399
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.39953 0.39953 0.00000 1.00000
Tm2 Tm 0.79892 0.79892 0.00000 1.00000
Tm3 Tm 0.20108 0.20108 0.00000 1.00000
Tm4 Tm 0.60047 0.60047 0.00000 1.00000
Sb1 Sb 0.10215 0.10215 0.00000 1.00000
Sb2 Sb 0.50000 0.50000 0.00000 1.00000
Sb3 Sb 0.89785 0.89785 0.00000 1.00000
Sb4 Sb 0.30010 0.30010 0.00000 1.00000
Sb5 Sb 0.69990 0.69990 0.00000 1.00000
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