Ca2H6Pt2Rh
Alexandria ALEXAlex-ID: agm006564537 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_26_spg166
CaPt3 CaH3Rh CaH6Pt
2024-02-28 06:55:18.326966
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006564537).
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 agm006564537
data_agm006564537
_cell_length_a 5.83062
_cell_length_b 5.83062
_cell_length_c 5.55413
_cell_angle_alpha 62.16867
_cell_angle_beta 62.16867
_cell_angle_gamma 50.73807
_cell_volume 125.16773
_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
Ca1 Ca 0.31006 0.31006 0.21572 1.00000
Ca2 Ca 0.68994 0.68994 0.78428 1.00000
H1 H 0.16740 0.16740 0.74519 1.00000
H2 H 0.83514 0.38449 0.22924 1.00000
H3 H 0.61551 0.16486 0.77076 1.00000
H4 H 0.16486 0.61551 0.77076 1.00000
H5 H 0.38449 0.83514 0.22924 1.00000
H6 H 0.83260 0.83260 0.25481 1.00000
Pt1 Pt 0.00887 0.00887 0.74130 1.00000
Pt2 Pt 0.99113 0.99113 0.25870 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
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