Sr2CuPdF8
Alexandria ALEXAlex-ID: agm078309760 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_198_spg10
SrCuF4 SrPdF4
2025-01-09 12:49:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078309760).
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 agm078309760
data_agm078309760
_cell_length_a 4.74376
_cell_length_b 4.83638
_cell_length_c 8.34649
_cell_angle_alpha 84.30184
_cell_angle_beta 85.58095
_cell_angle_gamma 82.78346
_cell_volume 188.62979
_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 0.56269 0.44083 0.25592 1.00000
Sr2 Sr 0.43731 0.55917 0.74408 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
F1 F 0.26157 0.08402 0.80439 1.00000
F2 F 0.73843 0.91598 0.19561 1.00000
F3 F 0.08607 0.27935 0.33027 1.00000
F4 F 0.91393 0.72065 0.66973 1.00000
F5 F 0.34798 0.76754 0.45916 1.00000
F6 F 0.65202 0.23246 0.54084 1.00000
F7 F 0.24723 0.63754 0.03439 1.00000
F8 F 0.75277 0.36246 0.96561 1.00000
Get direct link