Tm5P4S
Alexandria ALEXAlex-ID: agm056787293 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_34_spg71
Tm5P4S
2024-11-13 10:34:13.401896
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm056787293).
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 agm056787293
data_agm056787293
_cell_length_a 10.40072
_cell_length_b 10.40072
_cell_length_c 10.40072
_cell_angle_alpha 158.20180
_cell_angle_beta 149.05058
_cell_angle_gamma 38.17570
_cell_volume 214.55723
_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 0.89653 0.89653 0.00000 1.00000
Tm2 Tm 0.69985 0.69985 0.00000 1.00000
Tm3 Tm 0.30015 0.30015 0.00000 1.00000
Tm4 Tm 0.50000 0.50000 0.00000 1.00000
Tm5 Tm 0.10347 0.10347 0.00000 1.00000
P1 P 0.59872 0.09872 0.50000 1.00000
P2 P 0.19963 0.69963 0.50000 1.00000
P3 P 0.80037 0.30037 0.50000 1.00000
P4 P 0.40128 0.90128 0.50000 1.00000
S1 S 0.00000 0.50000 0.50000 1.00000
Get direct link