PrScTiPt2
Alexandria ALEXAlex-ID: agm005017407 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_3_spg107
Pr2Sc3Pt4 PrPt Ti3Pt
2022-07-05 02:31:08.308348
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005017407).
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 agm005017407
data_agm005017407
_cell_length_a 4.45942
_cell_length_b 4.45942
_cell_length_c 6.29807
_cell_angle_alpha 110.73403
_cell_angle_beta 110.73403
_cell_angle_gamma 90.00000
_cell_volume 108.41726
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.75000 0.25000 0.50000 1.00000
Ti1 Ti 0.25000 0.75000 0.50000 1.00000
Pt1 Pt 0.62223 0.62223 0.24447 1.00000
Pt2 Pt 0.37777 0.37777 0.75553 1.00000
