Ca2Ac(PrPd)2
Alexandria ALEXAlex-ID: agm024498866 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_14_spg12
Ca(AcPd)2 Pr7Pd3 Ca5Pd2 Pr
2025-04-17 14:17:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024498866).
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 agm024498866
data_agm024498866
_cell_length_a 6.81832
_cell_length_b 6.81832
_cell_length_c 9.55477
_cell_angle_alpha 65.48651
_cell_angle_beta 114.51349
_cell_angle_gamma 146.35558
_cell_volume 221.78039
_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 0.88017 0.11983 0.56195 1.00000
Ca2 Ca 0.11983 0.88017 0.43805 1.00000
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.32841 0.67159 0.18159 1.00000
Pr2 Pr 0.67159 0.32841 0.81841 1.00000
Pd1 Pd 0.32566 0.67434 0.77181 1.00000
Pd2 Pd 0.67434 0.32566 0.22819 1.00000
Get direct link