Hf3Co7P2
Alexandria ALEXAlex-ID: agm101664483 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
Hf6Co23 HfCoP Co
2025-05-17 08:57:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101664483).
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 agm101664483
data_agm101664483
_cell_length_a 7.84287
_cell_length_b 7.84287
_cell_length_c 7.84287
_cell_angle_alpha 36.78633
_cell_angle_beta 36.78633
_cell_angle_gamma 36.78633
_cell_volume 154.94778
_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 0.00000 0.00000 0.00000 1.00000
Hf2 Hf 0.85883 0.85883 0.85883 1.00000
Hf3 Hf 0.14117 0.14117 0.14117 1.00000
Co1 Co 0.50000 0.50000 0.50000 1.00000
Co2 Co 0.42246 0.42246 0.92273 1.00000
Co3 Co 0.92273 0.42246 0.42246 1.00000
Co4 Co 0.42246 0.92273 0.42246 1.00000
Co5 Co 0.57754 0.57754 0.07727 1.00000
Co6 Co 0.57754 0.07727 0.57754 1.00000
Co7 Co 0.07727 0.57754 0.57754 1.00000
P1 P 0.66637 0.66637 0.66637 1.00000
P2 P 0.33363 0.33363 0.33363 1.00000
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