YHfF7
Alexandria ALEXAlex-ID: agm024278928 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_7_spg14
YHfF7
2024-09-26 05:15:17.177432
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024278928).
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 agm024278928
data_agm024278928
_cell_length_a 5.72749
_cell_length_b 9.06374
_cell_length_c 12.16321
_cell_angle_alpha 62.31509
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 559.13419
_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
Y1 Y 0.74337 0.18585 0.73373 1.00000
Y2 Y 0.24337 0.81415 0.76627 1.00000
Y3 Y 0.25663 0.81415 0.26627 1.00000
Y4 Y 0.75663 0.18585 0.23373 1.00000
Hf1 Hf 0.74415 0.72597 0.54497 1.00000
Hf2 Hf 0.24415 0.27403 0.95503 1.00000
Hf3 Hf 0.25585 0.27403 0.45503 1.00000
Hf4 Hf 0.75585 0.72597 0.04497 1.00000
F1 F 0.46386 0.28983 0.07719 1.00000
F2 F 0.96386 0.71017 0.42281 1.00000
F3 F 0.53614 0.71017 0.92281 1.00000
F4 F 0.03614 0.28983 0.57719 1.00000
F5 F 0.45709 0.71843 0.45126 1.00000
F6 F 0.95709 0.28157 0.04874 1.00000
F7 F 0.54291 0.28157 0.54874 1.00000
F8 F 0.04291 0.71843 0.95126 1.00000
F9 F 0.76752 0.47696 0.14156 1.00000
F10 F 0.26752 0.52304 0.35844 1.00000
F11 F 0.23248 0.52304 0.85844 1.00000
F12 F 0.73248 0.47696 0.64156 1.00000
F13 F 0.75960 0.97424 0.94367 1.00000
F14 F 0.25960 0.02576 0.55633 1.00000
F15 F 0.24040 0.02576 0.05633 1.00000
F16 F 0.74040 0.97424 0.44367 1.00000
F17 F 0.98795 0.26679 0.35136 1.00000
F18 F 0.48795 0.73321 0.14864 1.00000
F19 F 0.01205 0.73321 0.64864 1.00000
F20 F 0.51205 0.26679 0.85136 1.00000
F21 F 0.03455 0.25465 0.82853 1.00000
F22 F 0.53455 0.74535 0.67147 1.00000
F23 F 0.96545 0.74535 0.17147 1.00000
F24 F 0.46545 0.25465 0.32853 1.00000
F25 F 0.42831 0.02627 0.76599 1.00000
F26 F 0.92831 0.97373 0.73401 1.00000
F27 F 0.57169 0.97373 0.23401 1.00000
F28 F 0.07169 0.02627 0.26599 1.00000
