Ni2SnH8Se
Alexandria ALEXAlex-ID: agm007588934 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1187_spg12
NiHSe SnH2Se Ni3SnH NiH4
2024-02-09 01:46:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007588934).
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 agm007588934
data_agm007588934
_cell_length_a 4.22634
_cell_length_b 4.48839
_cell_length_c 6.67495
_cell_angle_alpha 80.94137
_cell_angle_beta 64.20491
_cell_angle_gamma 78.30323
_cell_volume 111.29141
_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
Ni1 Ni 0.63149 0.62137 0.80535 1.00000
Ni2 Ni 0.36851 0.37863 0.19465 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.95518 0.59453 0.29075 1.00000
H2 H 0.39045 0.35750 0.94989 1.00000
H3 H 0.04482 0.40547 0.70925 1.00000
H4 H 0.60955 0.64250 0.05011 1.00000
H5 H 0.89308 0.86631 0.64866 1.00000
H6 H 0.10692 0.13369 0.35134 1.00000
H7 H 0.68743 0.96139 0.66865 1.00000
H8 H 0.31257 0.03861 0.33135 1.00000
Se1 Se 0.50000 0.50000 0.50000 1.00000
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