Cd2P3H2Pt5
Alexandria ALEXAlex-ID: agm006409381 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D5_47_spg1
CdHPt CdPPt5 P2Pt H3Pt
2024-02-27 02:43:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006409381).
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 agm006409381
data_agm006409381
_cell_length_a 3.32752
_cell_length_b 5.93890
_cell_length_c 10.35009
_cell_angle_alpha 97.20903
_cell_angle_beta 98.87484
_cell_angle_gamma 91.42977
_cell_volume 200.28511
_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
Cd1 Cd 0.75559 0.17793 0.54041 1.00000
Cd2 Cd 0.24423 0.57687 0.44686 1.00000
P1 P 0.41727 0.85968 0.76685 1.00000
P2 P 0.62627 0.00134 0.30003 1.00000
P3 P 0.00846 0.96959 0.01549 1.00000
H1 H 0.64668 0.36335 0.13477 1.00000
H2 H 0.30236 0.40556 0.87035 1.00000
Pt1 Pt 0.34499 0.47962 0.70277 1.00000
Pt2 Pt 0.63724 0.62149 0.22943 1.00000
Pt3 Pt 0.94971 0.12922 0.80887 1.00000
Pt4 Pt 0.09391 0.21601 0.21485 1.00000
Pt5 Pt 0.47329 0.69934 0.96931 1.00000
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