ZrSnH6
Alexandria ALEXAlex-ID: agm079283235 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1243_spg1
Zr4H15 SnH2 H2
2025-06-26 07:03:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079283235).
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 agm079283235
data_agm079283235
_cell_length_a 3.73137
_cell_length_b 3.27789
_cell_length_c 7.10468
_cell_angle_alpha 90.16437
_cell_angle_beta 103.41519
_cell_angle_gamma 116.00359
_cell_volume 75.42396
_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
Zr1 Zr 0.48516 0.49290 0.27468 1.00000
Sn1 Sn 0.70571 0.60114 0.82651 1.00000
H1 H 0.77241 0.13725 0.41906 1.00000
H2 H 0.45122 0.47711 0.54492 1.00000
H3 H 0.28374 0.89181 0.76807 1.00000
H4 H 0.58497 0.04162 0.12265 1.00000
H5 H 0.11999 0.30940 0.00541 1.00000
H6 H 0.09681 0.79876 0.28869 1.00000
Get direct link