Hf2PaCo3
Alexandria ALEXAlex-ID: agm033600129 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6352_spg11
Hf2PaCo3
2025-01-20 16:18:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033600129).
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 agm033600129
data_agm033600129
_cell_length_a 6.68606
_cell_length_b 3.94332
_cell_length_c 15.19901
_cell_angle_alpha 90.00000
_cell_angle_beta 96.25871
_cell_angle_gamma 90.00000
_cell_volume 398.33712
_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
Hf1 Hf 0.06434 0.25000 0.74456 1.00000
Hf2 Hf 0.10116 0.75000 0.92373 1.00000
Hf3 Hf 0.89884 0.25000 0.07627 1.00000
Hf4 Hf 0.93566 0.75000 0.25544 1.00000
Hf5 Hf 0.44682 0.75000 0.26410 1.00000
Hf6 Hf 0.72682 0.25000 0.39987 1.00000
Hf7 Hf 0.27318 0.75000 0.60013 1.00000
Hf8 Hf 0.55318 0.25000 0.73590 1.00000
Pa1 Pa 0.60707 0.75000 0.91878 1.00000
Pa2 Pa 0.39293 0.25000 0.08122 1.00000
Pa3 Pa 0.22707 0.25000 0.40994 1.00000
Pa4 Pa 0.77293 0.75000 0.59006 1.00000
Co1 Co 0.84226 0.25000 0.89277 1.00000
Co2 Co 0.35350 0.25000 0.89589 1.00000
Co3 Co 0.15774 0.75000 0.10723 1.00000
Co4 Co 0.64650 0.75000 0.10411 1.00000
Co5 Co 0.67708 0.25000 0.22370 1.00000
Co6 Co 0.18784 0.25000 0.22736 1.00000
Co7 Co 0.48484 0.75000 0.44004 1.00000
Co8 Co 0.98615 0.75000 0.43862 1.00000
Co9 Co 0.51516 0.25000 0.55996 1.00000
Co10 Co 0.01385 0.25000 0.56138 1.00000
Co11 Co 0.32292 0.75000 0.77630 1.00000
Co12 Co 0.81216 0.75000 0.77264 1.00000
