Zr7(CoPd)2
Alexandria ALEXAlex-ID: agm008239359 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_766_spg44
Zr7Co3 Zr3CoPd2 Zr2Pd
2024-03-10 10:06:38.127840
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008239359).
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 agm008239359
data_agm008239359
_cell_length_a 8.70877
_cell_length_b 8.70877
_cell_length_c 8.70877
_cell_angle_alpha 157.88795
_cell_angle_beta 117.35580
_cell_angle_gamma 67.29639
_cell_volume 219.25312
_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 0.70353 0.81987 0.88365 1.00000
Zr2 Zr 0.15171 0.88517 0.26654 1.00000
Zr3 Zr 0.00176 0.50000 0.50176 1.00000
Zr4 Zr 0.71453 0.60582 0.10870 1.00000
Zr5 Zr 0.50288 0.39418 0.10870 1.00000
Zr6 Zr 0.06378 0.18013 0.88365 1.00000
Zr7 Zr 0.38137 0.11483 0.26654 1.00000
Co1 Co 0.76470 0.00000 0.76470 1.00000
Co2 Co 0.37112 0.50000 0.87112 1.00000
Pd1 Pd 0.33300 0.73374 0.59926 1.00000
Pd2 Pd 0.86552 0.26626 0.59926 1.00000
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