PmH4Rh2Au
Alexandria ALEXAlex-ID: agm007494669 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_359_spg1
PmH5Rh PmAu3 Au Rh
2024-03-15 18:38:09.710885
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007494669).
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 agm007494669
data_agm007494669
_cell_length_a 4.43536
_cell_length_b 5.29100
_cell_length_c 4.64856
_cell_angle_alpha 113.56444
_cell_angle_beta 90.15531
_cell_angle_gamma 115.25679
_cell_volume 88.43634
_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
Pm1 Pm 0.00018 0.01070 0.53702 1.00000
H1 H 0.53860 0.39108 0.43650 1.00000
H2 H 0.17356 0.70479 0.76245 1.00000
H3 H 0.81621 0.90799 0.98881 1.00000
H4 H 0.56857 0.13789 0.75275 1.00000
Rh1 Rh 0.51070 0.04250 0.08206 1.00000
Rh2 Rh 0.76543 0.52789 0.82954 1.00000
Au1 Au 0.23970 0.50306 0.22382 1.00000
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