Ca4Ga5Rh3
Alexandria ALEXAlex-ID: agm005693569 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_53_spg12
Ca2Ga3Rh CaGaRh
2023-06-29 12:15:14.618802
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693569).
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 agm005693569
data_agm005693569
_cell_length_a 4.72479
_cell_length_b 6.02282
_cell_length_c 10.18837
_cell_angle_alpha 85.52367
_cell_angle_beta 76.59272
_cell_angle_gamma 66.90599
_cell_volume 259.39665
_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 0.14185 0.70118 0.01513 1.00000
Ca2 Ca 0.19360 0.95759 0.65520 1.00000
Ca3 Ca 0.80640 0.04241 0.34480 1.00000
Ca4 Ca 0.85815 0.29882 0.98487 1.00000
Ga1 Ga 0.58233 0.96378 0.87155 1.00000
Ga2 Ga 0.00000 0.50000 0.50000 1.00000
Ga3 Ga 0.56880 0.61001 0.25238 1.00000
Ga4 Ga 0.43120 0.38999 0.74762 1.00000
Ga5 Ga 0.41767 0.03622 0.12845 1.00000
Rh1 Rh 0.16060 0.42067 0.25812 1.00000
Rh2 Rh 0.50000 0.50000 0.50000 1.00000
Rh3 Rh 0.83940 0.57933 0.74188 1.00000
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