Ac3Ni7Rh2
Alexandria ALEXAlex-ID: agm024889334 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
AcNi5 AcRh2 AcRh
2025-05-17 06:40:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024889334).
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 agm024889334
data_agm024889334
_cell_length_a 9.20660
_cell_length_b 9.20660
_cell_length_c 9.20660
_cell_angle_alpha 32.89962
_cell_angle_beta 32.89962
_cell_angle_gamma 32.89962
_cell_volume 204.85451
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Ac2 Ac 0.13770 0.13770 0.13770 1.00000
Ac3 Ac 0.86230 0.86230 0.86230 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.08692 0.58051 0.58051 1.00000
Ni3 Ni 0.58051 0.58051 0.08692 1.00000
Ni4 Ni 0.58051 0.08692 0.58051 1.00000
Ni5 Ni 0.91308 0.41949 0.41949 1.00000
Ni6 Ni 0.41949 0.91308 0.41949 1.00000
Ni7 Ni 0.41949 0.41949 0.91308 1.00000
Rh1 Rh 0.33036 0.33036 0.33036 1.00000
Rh2 Rh 0.66964 0.66964 0.66964 1.00000
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