In2PtRh3
Alexandria ALEXAlex-ID: agm005707519 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2157_spg65
In2Pt3 Rh InRh
2023-08-24 13:45:29.564195
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707519).
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 agm005707519
data_agm005707519
_cell_length_a 4.64038
_cell_length_b 7.35642
_cell_length_c 6.06423
_cell_angle_alpha 89.99965
_cell_angle_beta 89.99889
_cell_angle_gamma 71.61523
_cell_volume 196.44619
_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
In2 In 0.00000 0.00000 0.50000 1.00000
In3 In 0.33206 0.33587 0.50000 1.00000
In4 In 0.66794 0.66413 0.50000 1.00000
Pt1 Pt 0.33139 0.33722 1.00000 1.00000
Pt2 Pt 0.66861 0.66278 0.00000 1.00000
Rh1 Rh 0.83432 0.33144 0.75905 1.00000
Rh2 Rh 0.49998 0.00000 0.24736 1.00000
Rh3 Rh 0.16568 0.66856 0.24095 1.00000
Rh4 Rh 0.83424 0.33144 0.24095 1.00000
Rh5 Rh 0.16576 0.66856 0.75905 1.00000
Rh6 Rh 0.50002 0.00000 0.75264 1.00000
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