Ac2LaPaRh4
Alexandria ALEXAlex-ID: agm004864590 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_305_spg10
AcRh LaPaRh2
2022-07-19 13:57:19.276434
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004864590).
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 agm004864590
data_agm004864590
_cell_length_a 4.52342
_cell_length_b 6.29630
_cell_length_c 7.98619
_cell_angle_alpha 64.98527
_cell_angle_beta 89.99966
_cell_angle_gamma 89.99966
_cell_volume 206.11755
_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 1.00000 1.00000
Ac2 Ac 0.50000 0.00000 0.50000 1.00000
La1 La 0.50000 0.50000 1.00000 1.00000
Pa1 Pa 0.00000 0.49999 0.50000 1.00000
Rh1 Rh 0.00000 0.64925 0.75239 1.00000
Rh2 Rh 1.00000 0.35075 0.24761 1.00000
Rh3 Rh 0.50000 0.65513 0.29343 1.00000
Rh4 Rh 0.50000 0.34488 0.70656 1.00000
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