Tm3PtAu2
Alexandria ALEXAlex-ID: agm036479151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2535_spg2
Tm4PtAu3 Tm2PtAu
2025-04-15 10:41:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036479151).
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 agm036479151
data_agm036479151
_cell_length_a 4.96470
_cell_length_b 7.88521
_cell_length_c 7.87625
_cell_angle_alpha 66.30534
_cell_angle_beta 71.57542
_cell_angle_gamma 71.51028
_cell_volume 261.37819
_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 0.41763 0.91852 0.24629 1.00000
Tm2 Tm 0.24971 0.74117 0.75950 1.00000
Tm3 Tm 0.58237 0.08148 0.75371 1.00000
Tm4 Tm 0.91066 0.42033 0.75815 1.00000
Tm5 Tm 0.08934 0.57967 0.24185 1.00000
Tm6 Tm 0.75029 0.25883 0.24050 1.00000
Pt1 Pt 0.66559 0.67229 0.99829 1.00000
Pt2 Pt 0.33441 0.32771 0.00171 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.50000 0.50000 0.50000 1.00000
Au3 Au 0.16535 0.16384 0.50587 1.00000
Au4 Au 0.83465 0.83616 0.49413 1.00000
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