Cd2Ge3H2Pt5
Alexandria ALEXAlex-ID: agm006396805 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D5_38_spg1
CdHPt GePt
2024-02-27 00:17:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006396805).
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
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# CIF generated by HEAS from Alexandria entry agm006396805
data_agm006396805
_cell_length_a 4.99477
_cell_length_b 5.31386
_cell_length_c 7.97641
_cell_angle_alpha 72.78970
_cell_angle_beta 96.33177
_cell_angle_gamma 97.55963
_cell_volume 199.89939
_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 0.72140 0.02475 0.40857 1.00000
Cd2 Cd 0.28315 0.05354 0.61935 1.00000
Ge1 Ge 0.18032 0.64839 0.32566 1.00000
Ge2 Ge 0.90968 0.43218 0.69990 1.00000
Ge3 Ge 0.83276 0.96150 0.06754 1.00000
H1 H 0.40061 0.50964 0.86029 1.00000
H2 H 0.41458 0.19171 0.08095 1.00000
Pt1 Pt 0.66007 0.55806 0.30795 1.00000
Pt2 Pt 0.41863 0.56128 0.63312 1.00000
Pt3 Pt 0.18547 0.20615 0.22615 1.00000
Pt4 Pt 0.80869 0.92997 0.77280 1.00000
Pt5 Pt 0.68464 0.42282 0.99771 1.00000
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