ZrSbPd
Alexandria ALEXAlex-ID: agm005650152 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_268_spg11
ZrSbPd
2023-06-18 15:31:43.248583
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005650152).
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 agm005650152
data_agm005650152
_cell_length_a 4.22355
_cell_length_b 7.05758
_cell_length_c 12.13763
_cell_angle_alpha 88.38192
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 361.65520
_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
Zr1 Zr 0.75000 0.52713 0.38549 1.00000
Zr2 Zr 0.25000 0.97216 0.70464 1.00000
Zr3 Zr 0.75000 0.02784 0.29536 1.00000
Zr4 Zr 0.75000 0.66701 0.07941 1.00000
Zr5 Zr 0.25000 0.47287 0.61451 1.00000
Zr6 Zr 0.25000 0.33299 0.92059 1.00000
Sb1 Sb 0.25000 0.75336 0.91123 1.00000
Sb2 Sb 0.75000 0.26677 0.75241 1.00000
Sb3 Sb 0.75000 0.76624 0.58473 1.00000
Sb4 Sb 0.75000 0.24664 0.08877 1.00000
Sb5 Sb 0.25000 0.23376 0.41527 1.00000
Sb6 Sb 0.25000 0.73323 0.24759 1.00000
Pd1 Pd 0.25000 0.99649 0.08634 1.00000
Pd2 Pd 0.25000 0.84294 0.45415 1.00000
Pd3 Pd 0.75000 0.62650 0.79786 1.00000
Pd4 Pd 0.75000 0.15706 0.54585 1.00000
Pd5 Pd 0.25000 0.37350 0.20214 1.00000
Pd6 Pd 0.75000 0.00351 0.91366 1.00000
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