SmTmPt
Alexandria ALEXAlex-ID: agm005667993 · Space group: Pbca (#61)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_258_spg61
SmTmPt
2023-06-18 12:03:25.140732
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667993).
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 agm005667993
data_agm005667993
_cell_length_a 6.82515
_cell_length_b 7.13058
_cell_length_c 13.35553
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 649.97717
_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
Sm1 Sm 0.80462 0.39467 0.80178 1.00000
Sm2 Sm 0.19538 0.60533 0.19822 1.00000
Sm3 Sm 0.69538 0.89467 0.19822 1.00000
Sm4 Sm 0.19538 0.10533 0.30178 1.00000
Sm5 Sm 0.30462 0.10533 0.80178 1.00000
Sm6 Sm 0.80462 0.89467 0.69822 1.00000
Sm7 Sm 0.30462 0.60533 0.69822 1.00000
Sm8 Sm 0.69538 0.39467 0.30178 1.00000
Tm1 Tm 0.00301 0.26168 0.53079 1.00000
Tm2 Tm 0.99699 0.73832 0.46921 1.00000
Tm3 Tm 0.49699 0.76168 0.46921 1.00000
Tm4 Tm 0.99699 0.23832 0.03079 1.00000
Tm5 Tm 0.50301 0.23832 0.53079 1.00000
Tm6 Tm 0.00301 0.76168 0.96921 1.00000
Tm7 Tm 0.50301 0.73832 0.96921 1.00000
Tm8 Tm 0.49699 0.26168 0.03079 1.00000
Pt1 Pt 0.72611 0.03995 0.89814 1.00000
Pt2 Pt 0.27389 0.96005 0.10186 1.00000
Pt3 Pt 0.77389 0.53995 0.10186 1.00000
Pt4 Pt 0.27389 0.46005 0.39814 1.00000
Pt5 Pt 0.22611 0.46005 0.89814 1.00000
Pt6 Pt 0.72611 0.53995 0.60186 1.00000
Pt7 Pt 0.22611 0.96005 0.60186 1.00000
Pt8 Pt 0.77389 0.03995 0.39814 1.00000
