K(Ac2Rh)2
Alexandria ALEXAlex-ID: agm044711271 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1552_spg166
Ac2Rh K
2024-12-08 14:07:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044711271).
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 agm044711271
data_agm044711271
_cell_length_a 4.36338
_cell_length_b 4.36338
_cell_length_c 18.06481
_cell_angle_alpha 83.00495
_cell_angle_beta 96.99505
_cell_angle_gamma 119.98724
_cell_volume 294.93571
_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
K1 K 0.00000 0.00000 0.00000 1.00000
Ac1 Ac 0.13287 0.86713 0.39525 1.00000
Ac2 Ac 0.25998 0.74002 0.78191 1.00000
Ac3 Ac 0.74002 0.25998 0.21809 1.00000
Ac4 Ac 0.86713 0.13287 0.60475 1.00000
Rh1 Rh 0.43633 0.56367 0.30602 1.00000
Rh2 Rh 0.56367 0.43633 0.69398 1.00000
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