Sr6Zn4InGa3Pd
Alexandria ALEXAlex-ID: agm010637745 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4E6_5_spg187
Sr2ZnPd SrIn SrZnGa
2024-03-08 21:50:22.899168
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010637745).
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 agm010637745
data_agm010637745
_cell_length_a 10.35320
_cell_length_b 10.35320
_cell_length_c 4.42144
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 410.43354
_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 0.69291 0.84646 0.00000 1.00000
Sr2 Sr 0.15354 0.84646 0.00000 1.00000
Sr3 Sr 0.15354 0.30709 0.00000 1.00000
Sr4 Sr 0.41223 0.20612 0.50000 1.00000
Sr5 Sr 0.79388 0.20612 0.50000 1.00000
Sr6 Sr 0.79388 0.58777 0.50000 1.00000
Zn1 Zn 0.33333 0.66667 0.00000 1.00000
Zn2 Zn 0.96788 0.48394 0.00000 1.00000
Zn3 Zn 0.51606 0.48394 0.00000 1.00000
Zn4 Zn 0.51606 0.03212 0.00000 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.14448 0.57224 0.50000 1.00000
Ga2 Ga 0.42776 0.57224 0.50000 1.00000
Ga3 Ga 0.42776 0.85552 0.50000 1.00000
Pd1 Pd 0.66667 0.33333 0.00000 1.00000
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