Tm3P2S
Alexandria ALEXAlex-ID: agm034799079 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Tm3P2S
2025-02-06 08:25:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034799079).
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 agm034799079
data_agm034799079
_cell_length_a 13.01159
_cell_length_b 12.40709
_cell_length_c 6.77806
_cell_angle_alpha 79.52561
_cell_angle_beta 69.66095
_cell_angle_gamma 30.81344
_cell_volume 509.80993
_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 0.66793 0.16759 0.82664 1.00000
Tm2 Tm 0.16759 0.66793 0.33784 1.00000
Tm3 Tm 0.58207 0.08241 0.42336 1.00000
Tm4 Tm 0.08241 0.58207 0.91216 1.00000
Tm5 Tm 0.50553 0.99447 0.99447 1.00000
Tm6 Tm 0.99447 0.50553 0.50553 1.00000
Tm7 Tm 0.91216 0.42336 0.08241 1.00000
Tm8 Tm 0.42336 0.91216 0.58207 1.00000
Tm9 Tm 0.33784 0.82664 0.16759 1.00000
Tm10 Tm 0.82664 0.33784 0.66793 1.00000
Tm11 Tm 0.74447 0.25553 0.25553 1.00000
Tm12 Tm 0.25553 0.74447 0.74447 1.00000
P1 P 0.00076 0.00076 0.49924 1.00000
P2 P 0.41599 0.41599 0.58401 1.00000
P3 P 0.83401 0.83401 0.66599 1.00000
P4 P 0.24924 0.24924 0.75076 1.00000
P5 P 0.75076 0.75076 0.24924 1.00000
P6 P 0.66599 0.66599 0.83401 1.00000
P7 P 0.58401 0.58401 0.41599 1.00000
P8 P 0.49924 0.49924 0.00076 1.00000
S1 S 0.91680 0.91680 0.08320 1.00000
S2 S 0.33320 0.33320 0.16680 1.00000
S3 S 0.16680 0.16680 0.33320 1.00000
S4 S 0.08320 0.08320 0.91680 1.00000
