H12Pt4Rh
Alexandria ALEXAlex-ID: agm006483451 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_112_spg1
H3Pt Pt H8Rh3
2024-02-26 10:35:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006483451).
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 agm006483451
data_agm006483451
_cell_length_a 5.75823
_cell_length_b 5.75823
_cell_length_c 6.28550
_cell_angle_alpha 57.00840
_cell_angle_beta 57.00840
_cell_angle_gamma 66.10680
_cell_volume 144.86112
_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
H1 H 0.34230 0.34230 0.93028 1.00000
H2 H 0.19997 0.80106 0.19920 1.00000
H3 H 0.61179 0.07299 0.65784 1.00000
H4 H 0.20007 0.80118 0.79967 1.00000
H5 H 0.38761 0.92553 0.34320 1.00000
H6 H 0.80118 0.20007 0.79967 1.00000
H7 H 0.92553 0.38761 0.34320 1.00000
H8 H 0.07299 0.61179 0.65784 1.00000
H9 H 0.80106 0.19997 0.19920 1.00000
H10 H 0.34245 0.34245 0.38660 1.00000
H11 H 0.65667 0.65667 0.61365 1.00000
H12 H 0.65684 0.65684 0.07113 1.00000
Pt1 Pt 0.50060 0.99985 0.00018 1.00000
Pt2 Pt 0.99985 0.50060 0.00018 1.00000
Pt3 Pt 0.99987 0.50057 0.49937 1.00000
Pt4 Pt 0.50057 0.99987 0.49937 1.00000
Rh1 Rh 0.00061 0.00061 0.99942 1.00000
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