Ca8GaRh4
Alexandria ALEXAlex-ID: agm097708523 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1593_spg1
Ca3(GaRh)2 Ca2GaRh2 Ca5Rh2
2025-06-02 13:51:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097708523).
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 agm097708523
data_agm097708523
_cell_length_a 4.31205
_cell_length_b 8.98790
_cell_length_c 9.16602
_cell_angle_alpha 108.99058
_cell_angle_beta 89.99988
_cell_angle_gamma 89.99771
_cell_volume 335.90560
_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 0.23083 0.08412 0.44992 1.00000
Ca2 Ca 0.23076 0.24520 0.86876 1.00000
Ca3 Ca 0.23070 0.57935 0.20129 1.00000
Ca4 Ca 0.23072 0.69117 0.84982 1.00000
Ca5 Ca 0.73070 0.28968 0.22978 1.00000
Ca6 Ca 0.73077 0.39521 0.64172 1.00000
Ca7 Ca 0.73071 0.86193 0.15332 1.00000
Ca8 Ca 0.73065 0.73820 0.53630 1.00000
Ga1 Ga 0.73064 0.99918 0.89457 1.00000
Rh1 Rh 0.23080 0.03440 0.06098 1.00000
Rh2 Rh 0.73095 0.07576 0.65335 1.00000
Rh3 Rh 0.73090 0.52086 0.98397 1.00000
Rh4 Rh 0.23086 0.48495 0.47621 1.00000
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