Sr4MgPd
Alexandria ALEXAlex-ID: agm005809699 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
SrMg2Pd Sr6Pd Sr
2023-07-30 08:13:12.865690
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809699).
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 agm005809699
data_agm005809699
_cell_length_a 6.98127
_cell_length_b 8.80209
_cell_length_c 8.80209
_cell_angle_alpha 111.26577
_cell_angle_beta 100.98214
_cell_angle_gamma 100.98212
_cell_volume 474.48588
_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 0.87132 0.63889 0.79765 1.00000
Sr2 Sr 0.05230 0.94007 0.27267 1.00000
Sr3 Sr 0.62868 0.20235 0.36111 1.00000
Sr4 Sr 0.44770 0.72733 0.05993 1.00000
Sr5 Sr 0.55230 0.27267 0.94007 1.00000
Sr6 Sr 0.37132 0.79765 0.63889 1.00000
Sr7 Sr 0.94770 0.05993 0.72733 1.00000
Sr8 Sr 0.12868 0.36111 0.20235 1.00000
Mg1 Mg 0.75000 0.62593 0.37407 1.00000
Mg2 Mg 0.25000 0.37407 0.62593 1.00000
Pd1 Pd 0.25000 0.99931 0.00069 1.00000
Pd2 Pd 0.75000 0.00069 0.99931 1.00000
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