Ho2HfP3
Alexandria ALEXAlex-ID: agm033707240 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Ho5HfP6 HfP
2025-02-06 08:29:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033707240).
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 agm033707240
data_agm033707240
_cell_length_a 12.87078
_cell_length_b 12.27248
_cell_length_c 6.71758
_cell_angle_alpha 79.48759
_cell_angle_beta 69.63756
_cell_angle_gamma 30.87485
_cell_volume 495.37055
_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
Ho1 Ho 0.49836 0.49836 0.00164 1.00000
Ho2 Ho 0.91805 0.91805 0.08195 1.00000
Ho3 Ho 0.33195 0.33195 0.16805 1.00000
Ho4 Ho 0.75164 0.75164 0.24836 1.00000
Ho5 Ho 0.24836 0.24836 0.75164 1.00000
Ho6 Ho 0.16805 0.16805 0.33195 1.00000
Ho7 Ho 0.08195 0.08195 0.91805 1.00000
Ho8 Ho 0.00164 0.00164 0.49836 1.00000
Hf1 Hf 0.41653 0.41653 0.58347 1.00000
Hf2 Hf 0.83347 0.83347 0.66653 1.00000
Hf3 Hf 0.66653 0.66653 0.83347 1.00000
Hf4 Hf 0.58347 0.58347 0.41653 1.00000
P1 P 0.16363 0.66500 0.34896 1.00000
P2 P 0.66500 0.16363 0.82241 1.00000
P3 P 0.08637 0.58500 0.90104 1.00000
P4 P 0.58500 0.08637 0.42759 1.00000
P5 P 0.98589 0.51411 0.51411 1.00000
P6 P 0.51411 0.98589 0.98589 1.00000
P7 P 0.42759 0.90104 0.58500 1.00000
P8 P 0.90104 0.42759 0.08637 1.00000
P9 P 0.82241 0.34896 0.66500 1.00000
P10 P 0.34896 0.82241 0.16363 1.00000
P11 P 0.26411 0.73589 0.73589 1.00000
P12 P 0.73589 0.26411 0.26411 1.00000
