Ho6C8F
Alexandria ALEXAlex-ID: agm072229907 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_725_spg1
Ho4C7 Ho2CF2 Ho3C4
2024-10-05 14:13:08.825127
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072229907).
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 agm072229907
data_agm072229907
_cell_length_a 4.23978
_cell_length_b 6.25019
_cell_length_c 9.20786
_cell_angle_alpha 93.68541
_cell_angle_beta 92.63124
_cell_angle_gamma 91.75807
_cell_volume 243.10339
_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 0.75508 0.11289 0.12937 1.00000
Ho2 Ho 0.20031 0.29038 0.47380 1.00000
Ho3 Ho 0.30813 0.57837 0.14845 1.00000
Ho4 Ho 0.16639 0.90271 0.82543 1.00000
Ho5 Ho 0.71867 0.73647 0.49149 1.00000
Ho6 Ho 0.62756 0.43196 0.80938 1.00000
C1 C 0.31709 0.22649 0.00773 1.00000
C2 C 0.61292 0.78421 0.94853 1.00000
C3 C 0.04326 0.55226 0.67642 1.00000
C4 C 0.63157 0.38866 0.34800 1.00000
C5 C 0.06639 0.28404 0.93150 1.00000
C6 C 0.88939 0.45884 0.28405 1.00000
C7 C 0.29378 0.63222 0.61219 1.00000
C8 C 0.86708 0.72917 0.02336 1.00000
F1 F 0.50237 0.89134 0.29030 1.00000
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