ZnH2I
Alexandria ALEXAlex-ID: agm005707283 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8849_spg10
H9I ZnH2 ZnI2
2023-07-09 23:39:13.038360
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707283).
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 agm005707283
data_agm005707283
_cell_length_a 2.98480
_cell_length_b 6.26791
_cell_length_c 10.28718
_cell_angle_alpha 76.36367
_cell_angle_beta 54.64495
_cell_angle_gamma 89.99007
_cell_volume 150.26944
_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
Zn1 Zn 0.81128 0.59316 0.84402 1.00000
Zn2 Zn 0.18872 0.40684 0.15598 1.00000
H1 H 0.45915 0.68591 0.02031 1.00000
H2 H 0.48742 0.37389 0.25697 1.00000
H3 H 0.51258 0.62611 0.74303 1.00000
H4 H 0.54085 0.31409 0.97969 1.00000
I1 I 0.87233 0.86147 0.31413 1.00000
I2 I 0.12767 0.13853 0.68587 1.00000
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