Ca3RhAu5
Alexandria ALEXAlex-ID: agm072229906 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1020_spg8
Ca3Au5 Rh
2024-09-23 21:30:11.437648
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072229906).
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 agm072229906
data_agm072229906
_cell_length_a 4.69228
_cell_length_b 5.67218
_cell_length_c 8.60584
_cell_angle_alpha 101.62310
_cell_angle_beta 91.79907
_cell_angle_gamma 115.32865
_cell_volume 200.98783
_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
Ca1 Ca 0.16186 0.90998 0.62339 1.00000
Ca2 Ca 0.81189 0.27496 0.36022 1.00000
Ca3 Ca 0.34992 0.45887 0.02131 1.00000
Rh1 Rh 0.93267 0.80501 0.90536 1.00000
Au1 Au 0.56668 0.03835 0.00658 1.00000
Au2 Au 0.44964 0.51500 0.65335 1.00000
Au3 Au 0.53415 0.69544 0.37783 1.00000
Au4 Au 0.09715 0.85100 0.22567 1.00000
Au5 Au 0.84261 0.28882 0.75050 1.00000
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