VZn2InH6
Alexandria ALEXAlex-ID: agm007678925 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2251_spg2
ZnH2 VH2 In
2024-02-09 06:44:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007678925).
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 agm007678925
data_agm007678925
_cell_length_a 4.60600
_cell_length_b 4.92553
_cell_length_c 5.46662
_cell_angle_alpha 63.94551
_cell_angle_beta 94.51157
_cell_angle_gamma 110.23404
_cell_volume 104.14647
_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
V1 V 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.57280 0.12857 0.23711 1.00000
Zn2 Zn 0.42720 0.87143 0.76289 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
H1 H 0.78474 0.85009 0.32342 1.00000
H2 H 0.28800 0.27939 0.09931 1.00000
H3 H 0.21495 0.73307 0.08994 1.00000
H4 H 0.21526 0.14991 0.67658 1.00000
H5 H 0.71200 0.72061 0.90069 1.00000
H6 H 0.78505 0.26693 0.91006 1.00000
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