Tm2PaPt3
Alexandria ALEXAlex-ID: agm032504720 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6318_spg2
TmPaPt2 TmPt
2025-03-07 21:13:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032504720).
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 agm032504720
data_agm032504720
_cell_length_a 7.19028
_cell_length_b 8.90074
_cell_length_c 8.59602
_cell_angle_alpha 106.70663
_cell_angle_beta 95.17965
_cell_angle_gamma 90.86649
_cell_volume 524.27456
_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 0.83571 0.38394 0.70783 1.00000
Tm2 Tm 0.99887 0.78404 0.96003 1.00000
Tm3 Tm 0.00113 0.21596 0.03997 1.00000
Tm4 Tm 0.16429 0.61606 0.29217 1.00000
Tm5 Tm 0.66843 0.11977 0.30423 1.00000
Tm6 Tm 0.16939 0.04451 0.36642 1.00000
Tm7 Tm 0.83061 0.95549 0.63358 1.00000
Tm8 Tm 0.33157 0.88023 0.69577 1.00000
Pa1 Pa 0.48760 0.27266 0.96193 1.00000
Pa2 Pa 0.51240 0.72734 0.03807 1.00000
Pa3 Pa 0.68200 0.55921 0.37631 1.00000
Pa4 Pa 0.31800 0.44079 0.62369 1.00000
Pt1 Pt 0.68833 0.99270 0.94952 1.00000
Pt2 Pt 0.20497 0.49683 0.94470 1.00000
Pt3 Pt 0.31167 0.00730 0.05048 1.00000
Pt4 Pt 0.79503 0.50317 0.05530 1.00000
Pt5 Pt 0.85675 0.82326 0.27777 1.00000
Pt6 Pt 0.36899 0.33339 0.28373 1.00000
Pt7 Pt 0.98044 0.34248 0.38868 1.00000
Pt8 Pt 0.48151 0.83692 0.38022 1.00000
Pt9 Pt 0.01956 0.65752 0.61132 1.00000
Pt10 Pt 0.51849 0.16308 0.61978 1.00000
Pt11 Pt 0.14325 0.17674 0.72223 1.00000
Pt12 Pt 0.63101 0.66661 0.71627 1.00000
