Ca(SmPd)3
Alexandria ALEXAlex-ID: agm003545604 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_288_spg12
Sm3Pd Ca5Pd2 SmPd
2022-04-25 20:37:19.040469
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545604).
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 agm003545604
data_agm003545604
_cell_length_a 7.09985
_cell_length_b 7.09985
_cell_length_c 7.22967
_cell_angle_alpha 91.07999
_cell_angle_beta 91.07999
_cell_angle_gamma 97.61468
_cell_volume 361.07056
_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 0.73645 0.73645 0.87797 1.00000
Ca2 Ca 0.26355 0.26355 0.12203 1.00000
Sm1 Sm 0.65778 0.65778 0.37407 1.00000
Sm2 Sm 0.17789 0.82211 0.50000 1.00000
Sm3 Sm 0.82211 0.17789 0.50000 1.00000
Sm4 Sm 0.24686 0.75314 0.00000 1.00000
Sm5 Sm 0.75314 0.24686 0.00000 1.00000
Sm6 Sm 0.34222 0.34222 0.62593 1.00000
Pd1 Pd 0.93793 0.93793 0.19572 1.00000
Pd2 Pd 0.99542 0.49326 0.72454 1.00000
Pd3 Pd 0.49326 0.99542 0.72454 1.00000
Pd4 Pd 0.00458 0.50674 0.27546 1.00000
Pd5 Pd 0.50674 0.00458 0.27546 1.00000
Pd6 Pd 0.06207 0.06207 0.80428 1.00000
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