YHfF7
Alexandria ALEXAlex-ID: agm005284731 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
YHfF7
2023-05-07 13:51:19.559035
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284731).
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 agm005284731
data_agm005284731
_cell_length_a 5.81644
_cell_length_b 6.07185
_cell_length_c 8.29118
_cell_angle_alpha 76.75384
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 285.02510
_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 0.69970 0.34707 0.68889 1.00000
Y2 Y 0.19970 0.65293 0.31111 1.00000
Hf1 Hf 0.70510 0.18302 0.22565 1.00000
Hf2 Hf 0.20510 0.81698 0.77435 1.00000
F1 F 0.91957 0.52869 0.48843 1.00000
F2 F 0.41957 0.47131 0.51157 1.00000
F3 F 0.44496 0.05945 0.76269 1.00000
F4 F 0.94496 0.94055 0.23731 1.00000
F5 F 0.97221 0.06881 0.75473 1.00000
F6 F 0.47221 0.93119 0.24527 1.00000
F7 F 0.95962 0.58002 0.79279 1.00000
F8 F 0.45962 0.41998 0.20721 1.00000
F9 F 0.70195 0.23025 0.97815 1.00000
F10 F 0.20195 0.76975 0.02185 1.00000
F11 F 0.70896 0.13704 0.47203 1.00000
F12 F 0.20896 0.86296 0.52797 1.00000
F13 F 0.46431 0.59274 0.79292 1.00000
F14 F 0.96431 0.40726 0.20708 1.00000
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