In3Co3Pd2
Alexandria ALEXAlex-ID: agm008900544 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_1499_spg11
In3Pd2 Co
2024-05-28 21:20:26.763754
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008900544).
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 agm008900544
data_agm008900544
_cell_length_a 5.48348
_cell_length_b 5.08224
_cell_length_c 18.35240
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 511.45097
_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
In1 In 0.10006 0.55285 0.38397 1.00000
In2 In 0.60006 0.94715 0.61603 1.00000
In3 In 0.89994 0.44715 0.88397 1.00000
In4 In 0.39994 0.05285 0.11603 1.00000
In5 In 0.89994 0.44715 0.61603 1.00000
In6 In 0.39994 0.05285 0.38397 1.00000
In7 In 0.10006 0.55285 0.11603 1.00000
In8 In 0.60006 0.94715 0.88397 1.00000
In9 In 0.62541 0.29183 0.25000 1.00000
In10 In 0.12541 0.20817 0.75000 1.00000
In11 In 0.37459 0.70817 0.75000 1.00000
In12 In 0.87459 0.79183 0.25000 1.00000
Co1 Co 0.15005 0.27480 0.25000 1.00000
Co2 Co 0.65005 0.22520 0.75000 1.00000
Co3 Co 0.84995 0.72520 0.75000 1.00000
Co4 Co 0.34995 0.77480 0.25000 1.00000
Co5 Co 0.65979 0.27496 0.49707 1.00000
Co6 Co 0.15979 0.22504 0.50293 1.00000
Co7 Co 0.34021 0.72504 0.99707 1.00000
Co8 Co 0.84021 0.77496 0.00293 1.00000
Co9 Co 0.34021 0.72504 0.50293 1.00000
Co10 Co 0.84021 0.77496 0.49707 1.00000
Co11 Co 0.65979 0.27496 0.00293 1.00000
Co12 Co 0.15979 0.22504 0.99707 1.00000
Pd1 Pd 0.89663 0.07027 0.37958 1.00000
Pd2 Pd 0.39663 0.42973 0.62042 1.00000
Pd3 Pd 0.10337 0.92973 0.87958 1.00000
Pd4 Pd 0.60337 0.57027 0.12042 1.00000
Pd5 Pd 0.10337 0.92973 0.62042 1.00000
Pd6 Pd 0.60337 0.57027 0.37958 1.00000
Pd7 Pd 0.89663 0.07027 0.12042 1.00000
Pd8 Pd 0.39663 0.42973 0.87958 1.00000
