CdPt2C
Alexandria ALEXAlex-ID: agm002806541 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
Cd3Pt5 CdPt3 C
2016-12-27 01:31:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002806541).
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 agm002806541
data_agm002806541
_cell_length_a 6.60088
_cell_length_b 6.60088
_cell_length_c 5.52613
_cell_angle_alpha 53.32735
_cell_angle_beta 53.32735
_cell_angle_gamma 90.00000
_cell_volume 128.90354
_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
C1 C 0.50000 0.50000 0.00000 1.00000
C2 C 0.25000 0.75000 0.50000 1.00000
Pt1 Pt 0.50417 0.12500 0.25000 1.00000
Pt2 Pt 0.24583 0.62500 0.25000 1.00000
Pt3 Pt 0.37500 0.49583 0.75000 1.00000
Pt4 Pt 0.87500 0.75417 0.75000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.75000 0.25000 0.50000 1.00000
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