Ho2ZnH7
Alexandria ALEXAlex-ID: agm006202118 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_796_spg12
ZnH2 HoH3 Zn
2024-02-01 14:51:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006202118).
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 agm006202118
data_agm006202118
_cell_length_a 4.89505
_cell_length_b 4.89529
_cell_length_c 6.59468
_cell_angle_alpha 111.85004
_cell_angle_beta 68.12414
_cell_angle_gamma 120.01852
_cell_volume 123.53647
_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
H1 H 0.10383 0.77177 0.15126 1.00000
H2 H 0.84285 0.93992 0.84234 1.00000
H3 H 0.38926 0.48633 0.84234 1.00000
H4 H 0.10380 0.22499 0.15114 1.00000
H5 H 0.47321 0.85545 0.49675 1.00000
H6 H 0.55710 0.22501 0.15127 1.00000
H7 H 0.84270 0.48650 0.84248 1.00000
Ho1 Ho 0.35830 0.97085 0.84196 1.00000
Ho2 Ho 0.58820 0.74067 0.15153 1.00000
Zn1 Zn 0.97314 0.35590 0.99710 1.00000
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