HoZrF7
Alexandria ALEXAlex-ID: agm024129563 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
HoZrF7
2025-01-20 19:41:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024129563).
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 agm024129563
data_agm024129563
_cell_length_a 5.99472
_cell_length_b 5.74200
_cell_length_c 8.18674
_cell_angle_alpha 90.00000
_cell_angle_beta 102.11504
_cell_angle_gamma 90.00000
_cell_volume 275.52490
_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 0.31388 0.29144 0.72860 1.00000
Ho2 Ho 0.68612 0.79144 0.27140 1.00000
Zr1 Zr 0.15534 0.29792 0.18955 1.00000
Zr2 Zr 0.84466 0.79792 0.81045 1.00000
F1 F 0.97237 0.10525 0.98504 1.00000
F2 F 0.02763 0.60525 0.01496 1.00000
F3 F 0.38981 0.56694 0.26303 1.00000
F4 F 0.61019 0.06694 0.73697 1.00000
F5 F 0.41969 0.05565 0.25520 1.00000
F6 F 0.58031 0.55565 0.74480 1.00000
F7 F 0.97703 0.01929 0.28375 1.00000
F8 F 0.02297 0.51929 0.71625 1.00000
F9 F 0.24411 0.30642 0.46044 1.00000
F10 F 0.75589 0.80642 0.53956 1.00000
F11 F 0.35518 0.31243 0.99853 1.00000
F12 F 0.64482 0.81243 0.00147 1.00000
F13 F 0.87877 0.46833 0.26186 1.00000
F14 F 0.12123 0.96833 0.73814 1.00000
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