Cr2Pt
Alexandria ALEXAlex-ID: agm005509917 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_39_spg141
Cr5Pt3 Cr
2023-04-03 08:05:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509917).
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 agm005509917
data_agm005509917
_cell_length_a 3.86026
_cell_length_b 3.86027
_cell_length_c 11.47846
_cell_angle_alpha 99.68085
_cell_angle_beta 99.68047
_cell_angle_gamma 89.99501
_cell_volume 166.14120
_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
Cr1 Cr 0.24978 0.24980 0.49953 1.00000
Cr2 Cr 0.75026 0.75030 0.50047 1.00000
Cr3 Cr 0.49976 0.99974 0.99953 1.00000
Cr4 Cr 0.00026 0.50024 0.00046 1.00000
Cr5 Cr 0.42499 0.42487 0.84980 1.00000
Cr6 Cr 0.57514 0.57502 0.15020 1.00000
Cr7 Cr 0.67488 0.17500 0.34981 1.00000
Cr8 Cr 0.82503 0.32515 0.65020 1.00000
Pt1 Pt 0.08168 0.08165 0.16321 1.00000
Pt2 Pt 0.91836 0.91832 0.83678 1.00000
Pt3 Pt 0.33166 0.83169 0.66321 1.00000
Pt4 Pt 0.16834 0.66837 0.33679 1.00000
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