SrCrAs2Pd
Alexandria ALEXAlex-ID: agm045042014 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_160_spg1
Sr3(As2Pd)2 Cr5As4 SrAs Sr5(AsPd)6
2025-04-15 00:14:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045042014).
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 agm045042014
data_agm045042014
_cell_length_a 6.90250
_cell_length_b 6.90250
_cell_length_c 6.90250
_cell_angle_alpha 145.62707
_cell_angle_beta 145.62707
_cell_angle_gamma 49.40102
_cell_volume 104.34448
_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 0.50000 0.50000 0.00000 1.00000
Cr1 Cr 0.25000 0.75000 0.50000 1.00000
As1 As 0.13364 0.13364 0.00000 1.00000
As2 As 0.86636 0.86636 0.00000 1.00000
Pd1 Pd 0.75000 0.25000 0.50000 1.00000
