Cd5InPt6
Alexandria ALEXAlex-ID: agm006069082 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
In2Pt3 Cd2Pt CdPt
2023-08-21 06:21:13.361873
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006069082).
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 agm006069082
data_agm006069082
_cell_length_a 4.27236
_cell_length_b 7.72066
_cell_length_c 6.75770
_cell_angle_alpha 90.00003
_cell_angle_beta 71.57211
_cell_angle_gamma 90.00007
_cell_volume 211.47572
_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
In1 In 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.83499 0.75074 0.33004 1.00000
Pt2 Pt 0.83497 0.24926 0.33004 1.00000
Pt3 Pt 0.50003 0.24378 0.00000 1.00000
Pt4 Pt 0.49997 0.75622 1.00000 1.00000
Pt5 Pt 0.16503 0.75074 0.66996 1.00000
Pt6 Pt 0.16501 0.24926 0.66996 1.00000
Cd1 Cd 0.66637 0.50000 0.66726 1.00000
Cd2 Cd 0.32990 1.00000 0.34019 1.00000
Cd3 Cd 0.00000 0.50000 0.00000 1.00000
Cd4 Cd 0.67010 0.00000 0.65981 1.00000
Cd5 Cd 0.33363 0.50000 0.33274 1.00000
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