HoH6C
Alexandria ALEXAlex-ID: agm076137063 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_2215_spg8
HoH3 H4C C
2025-06-25 21:55:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076137063).
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
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# CIF generated by HEAS from Alexandria entry agm076137063
data_agm076137063
_cell_length_a 3.64945
_cell_length_b 3.66718
_cell_length_c 6.48716
_cell_angle_alpha 76.33221
_cell_angle_beta 77.77932
_cell_angle_gamma 64.13898
_cell_volume 75.32406
_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 0.00490 0.83776 0.29609 1.00000
H1 H 0.22539 0.86510 0.92684 1.00000
H2 H 0.51253 0.00017 0.06659 1.00000
H3 H 0.74230 0.50432 0.61115 1.00000
H4 H 0.45274 0.27230 0.56353 1.00000
H5 H 0.41199 0.22416 0.13040 1.00000
H6 H 0.01538 0.84475 0.92951 1.00000
C1 C 0.63476 0.45144 0.47589 1.00000
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