Sr2HfAs3Pd7
Alexandria ALEXAlex-ID: agm020075362 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_19_spg119
Sr7As12Pd17 SrAsPd HfPd3
2024-09-26 13:27:40.136799
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020075362).
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 agm020075362
data_agm020075362
_cell_length_a 14.48377
_cell_length_b 14.48377
_cell_length_c 14.48377
_cell_angle_alpha 163.18551
_cell_angle_beta 163.18551
_cell_angle_gamma 23.86621
_cell_volume 254.19078
_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 0.83585 0.83585 0.00000 1.00000
Sr2 Sr 0.16415 0.16415 0.00000 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
As1 As 0.61728 0.61728 0.00000 1.00000
As2 As 0.38272 0.38272 0.00000 1.00000
As3 As 0.75000 0.25000 0.50000 1.00000
Pd1 Pd 0.56552 0.06552 0.50000 1.00000
Pd2 Pd 0.06633 0.56633 0.50000 1.00000
Pd3 Pd 0.43367 0.93367 0.50000 1.00000
Pd4 Pd 0.93448 0.43448 0.50000 1.00000
Pd5 Pd 0.70597 0.70597 0.00000 1.00000
Pd6 Pd 0.29403 0.29403 0.00000 1.00000
Pd7 Pd 0.50000 0.50000 0.00000 1.00000
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