PtRh14
Alexandria ALEXAlex-ID: agm013166281 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB14_6_spg2
PtRh19 PtRh6
2024-11-08 18:51:46.652519
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013166281).
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 agm013166281
data_agm013166281
_cell_length_a 4.71349
_cell_length_b 7.19881
_cell_length_c 7.21155
_cell_angle_alpha 93.98424
_cell_angle_beta 109.16754
_cell_angle_gamma 109.13919
_cell_volume 214.01237
_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
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.06758 0.33399 0.46693 1.00000
Rh2 Rh 0.26777 0.33532 0.86602 1.00000
Rh3 Rh 0.60161 0.00014 0.20240 1.00000
Rh4 Rh 0.66723 0.33319 0.66654 1.00000
Rh5 Rh 0.33277 0.66681 0.33346 1.00000
Rh6 Rh 0.39839 0.99986 0.79760 1.00000
Rh7 Rh 0.73223 0.66468 0.13398 1.00000
Rh8 Rh 0.93242 0.66601 0.53307 1.00000
Rh9 Rh 0.13403 0.66497 0.93275 1.00000
Rh10 Rh 0.20094 0.00029 0.40147 1.00000
Rh11 Rh 0.53060 0.66419 0.73171 1.00000
Rh12 Rh 0.46940 0.33581 0.26829 1.00000
Rh13 Rh 0.79906 0.99971 0.59853 1.00000
Rh14 Rh 0.86597 0.33503 0.06725 1.00000
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