Zr8H4Se
Alexandria ALEXAlex-ID: agm097654157 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1762_spg8
Zr2Se ZrH2 Zr
2025-06-16 00:23:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097654157).
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 agm097654157
data_agm097654157
_cell_length_a 3.41531
_cell_length_b 8.05987
_cell_length_c 8.34463
_cell_angle_alpha 112.06283
_cell_angle_beta 85.28046
_cell_angle_gamma 86.57369
_cell_volume 211.13564
_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 0.25138 0.11071 0.28302 1.00000
Zr2 Zr 0.28393 0.36724 0.97648 1.00000
Zr3 Zr 0.12075 0.79483 0.38096 1.00000
Zr4 Zr 0.12886 0.52624 0.66638 1.00000
Zr5 Zr 0.67641 0.45302 0.32277 1.00000
Zr6 Zr 0.72489 0.18675 0.61116 1.00000
Zr7 Zr 0.73477 0.73687 0.04171 1.00000
Zr8 Zr 0.38836 0.90234 0.76465 1.00000
H1 H 0.25719 0.73558 0.89057 1.00000
H2 H 0.90288 0.94306 0.63819 1.00000
H3 H 0.81075 0.45068 0.86437 1.00000
H4 H 0.41072 0.67754 0.53530 1.00000
Se1 Se 0.80911 0.11513 0.02441 1.00000
Get direct link