CeHfF7
Alexandria ALEXAlex-ID: agm005244293 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
CeHfF7
2023-05-07 14:12:08.462770
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005244293).
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 agm005244293
data_agm005244293
_cell_length_a 5.93579
_cell_length_b 6.29424
_cell_length_c 8.53332
_cell_angle_alpha 77.36818
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 311.09938
_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
Ce1 Ce 0.69941 0.34127 0.68794 1.00000
Ce2 Ce 0.19941 0.65873 0.31206 1.00000
Hf1 Hf 0.70831 0.18891 0.22305 1.00000
Hf2 Hf 0.20831 0.81109 0.77695 1.00000
F1 F 0.88943 0.55436 0.47867 1.00000
F2 F 0.38943 0.44564 0.52133 1.00000
F3 F 0.44084 0.04671 0.76873 1.00000
F4 F 0.94084 0.95329 0.23127 1.00000
F5 F 0.97277 0.04742 0.75595 1.00000
F6 F 0.47277 0.95258 0.24405 1.00000
F7 F 0.97998 0.57309 0.79071 1.00000
F8 F 0.47998 0.42691 0.20929 1.00000
F9 F 0.70197 0.23415 0.98330 1.00000
F10 F 0.20197 0.76585 0.01670 1.00000
F11 F 0.71613 0.14404 0.46320 1.00000
F12 F 0.21613 0.85596 0.53680 1.00000
F13 F 0.46753 0.60133 0.79114 1.00000
F14 F 0.96753 0.39867 0.20886 1.00000
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