Sr3(CaPd)2
Alexandria ALEXAlex-ID: agm024531814 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_103_spg12
Ca5Pd2 Sr5Pd2
2025-04-17 14:34:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024531814).
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 agm024531814
data_agm024531814
_cell_length_a 7.37594
_cell_length_b 7.37594
_cell_length_c 8.55612
_cell_angle_alpha 64.54457
_cell_angle_beta 115.45543
_cell_angle_gamma 143.84543
_cell_volume 244.95205
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.38363 0.61637 0.26359 1.00000
Sr3 Sr 0.61637 0.38363 0.73641 1.00000
Ca1 Ca 0.31868 0.68132 0.66143 1.00000
Ca2 Ca 0.68132 0.31868 0.33857 1.00000
Pd1 Pd 0.92507 0.07493 0.57103 1.00000
Pd2 Pd 0.07493 0.92507 0.42897 1.00000
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