Ce2PrPt
Alexandria ALEXAlex-ID: agm005698067 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7452_spg62
Pr7Pt3 Ce CePt
2023-07-12 02:27:15.922156
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698067).
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 agm005698067
data_agm005698067
_cell_length_a 6.16622
_cell_length_b 10.12487
_cell_length_c 14.37029
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 897.16777
_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
Ce1 Ce 0.06312 0.05408 0.21299 1.00000
Ce2 Ce 0.56312 0.94592 0.28701 1.00000
Ce3 Ce 0.93688 0.55408 0.78701 1.00000
Ce4 Ce 0.43688 0.44592 0.71299 1.00000
Ce5 Ce 0.93688 0.94592 0.78701 1.00000
Ce6 Ce 0.43688 0.05408 0.71299 1.00000
Ce7 Ce 0.06312 0.44592 0.21299 1.00000
Ce8 Ce 0.56312 0.55408 0.28701 1.00000
Ce9 Ce 0.75005 0.54999 0.03534 1.00000
Ce10 Ce 0.25005 0.45001 0.46466 1.00000
Ce11 Ce 0.24995 0.04999 0.96466 1.00000
Ce12 Ce 0.74995 0.95001 0.53534 1.00000
Ce13 Ce 0.24995 0.45001 0.96466 1.00000
Ce14 Ce 0.74995 0.54999 0.53534 1.00000
Ce15 Ce 0.75005 0.95001 0.03534 1.00000
Ce16 Ce 0.25005 0.04999 0.46466 1.00000
Pr1 Pr 0.54827 0.25000 0.14059 1.00000
Pr2 Pr 0.04827 0.75000 0.35941 1.00000
Pr3 Pr 0.45173 0.75000 0.85941 1.00000
Pr4 Pr 0.95173 0.25000 0.64059 1.00000
Pr5 Pr 0.76551 0.25000 0.39424 1.00000
Pr6 Pr 0.26551 0.75000 0.10576 1.00000
Pr7 Pr 0.23449 0.75000 0.60576 1.00000
Pr8 Pr 0.73449 0.25000 0.89424 1.00000
Pt1 Pt 0.27809 0.25000 0.32349 1.00000
Pt2 Pt 0.77809 0.75000 0.17651 1.00000
Pt3 Pt 0.72191 0.75000 0.67651 1.00000
Pt4 Pt 0.22191 0.25000 0.82349 1.00000
Pt5 Pt 0.02470 0.25000 0.06970 1.00000
Pt6 Pt 0.52470 0.75000 0.43030 1.00000
Pt7 Pt 0.97530 0.75000 0.93030 1.00000
Pt8 Pt 0.47530 0.25000 0.56970 1.00000
