PrScPt2
Alexandria ALEXAlex-ID: agm005804538 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_955_spg11
ScPt PrPt
2023-07-13 11:17:32.605664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804538).
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 agm005804538
data_agm005804538
_cell_length_a 4.51246
_cell_length_b 5.83476
_cell_length_c 7.30373
_cell_angle_alpha 115.66194
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 173.33313
_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 0.25000 0.29034 0.10904 1.00000
Pr2 Pr 0.75000 0.70966 0.89096 1.00000
Sc1 Sc 0.75000 0.77247 0.40462 1.00000
Sc2 Sc 0.25000 0.22753 0.59538 1.00000
Pt1 Pt 0.25000 0.85056 0.21847 1.00000
Pt2 Pt 0.75000 0.14944 0.78153 1.00000
Pt3 Pt 0.75000 0.29129 0.40412 1.00000
Pt4 Pt 0.25000 0.70871 0.59588 1.00000
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