Ca11Cd9Rh4
Alexandria ALEXAlex-ID: agm005725890 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B9C11_1_spg65
Ca2CdRh2 CaCd
2023-07-06 08:09:00.712375
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005725890).
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 agm005725890
data_agm005725890
_cell_length_a 4.07131
_cell_length_b 12.83298
_cell_length_c 12.83298
_cell_angle_alpha 112.43768
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 619.72621
_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 0.00000 0.58250 0.91357 1.00000
Ca2 Ca 0.00000 0.41750 0.08643 1.00000
Ca3 Ca 0.00000 0.91357 0.58250 1.00000
Ca4 Ca 0.00000 0.08643 0.41750 1.00000
Ca5 Ca 0.00000 0.62708 0.37292 1.00000
Ca6 Ca 0.00000 0.37292 0.62708 1.00000
Ca7 Ca 0.00000 0.83238 0.16762 1.00000
Ca8 Ca 0.00000 0.16762 0.83238 1.00000
Ca9 Ca 0.00000 0.00000 0.00000 1.00000
Ca10 Ca 0.00000 0.69115 0.69115 1.00000
Ca11 Ca 0.00000 0.30885 0.30885 1.00000
Cd1 Cd 0.50000 0.62500 0.16165 1.00000
Cd2 Cd 0.50000 0.37500 0.83835 1.00000
Cd3 Cd 0.50000 0.16165 0.62500 1.00000
Cd4 Cd 0.50000 0.83835 0.37500 1.00000
Cd5 Cd 0.50000 0.77544 0.92056 1.00000
Cd6 Cd 0.50000 0.22456 0.07944 1.00000
Cd7 Cd 0.50000 0.92056 0.77544 1.00000
Cd8 Cd 0.50000 0.07944 0.22456 1.00000
Cd9 Cd 0.50000 0.50000 0.50000 1.00000
Rh1 Rh 0.50000 0.54793 0.74295 1.00000
Rh2 Rh 0.50000 0.45207 0.25705 1.00000
Rh3 Rh 0.50000 0.74295 0.54793 1.00000
Rh4 Rh 0.50000 0.25705 0.45207 1.00000
