H4PdRh2Pb
Alexandria ALEXAlex-ID: agm007120290 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_1319_spg5
HPd2RhPb H2RhPb HRh3Pb H8Rh3
2024-03-26 03:45:17.759031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007120290).
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 agm007120290
data_agm007120290
_cell_length_a 5.45651
_cell_length_b 5.45651
_cell_length_c 4.73540
_cell_angle_alpha 88.69595
_cell_angle_beta 88.69595
_cell_angle_gamma 139.79783
_cell_volume 90.80701
_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 0.96748 0.57802 0.34689 1.00000
H2 H 0.40799 0.14085 0.22114 1.00000
H3 H 0.85915 0.59201 0.77886 1.00000
H4 H 0.42198 0.03252 0.65311 1.00000
Pd1 Pd 0.35696 0.64304 0.50000 1.00000
Rh1 Rh 0.21778 0.78222 0.00000 1.00000
Rh2 Rh 0.06985 0.93015 0.50000 1.00000
Pb1 Pb 0.92061 0.07939 0.00000 1.00000
Get direct link