Sr8TlH6
Alexandria ALEXAlex-ID: agm071982933 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_104_spg148
Sr8Tl3 Sr SrH2
2024-10-06 09:39:41.768929
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071982933).
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 agm071982933
data_agm071982933
_cell_length_a 7.45116
_cell_length_b 7.45116
_cell_length_c 7.45116
_cell_angle_alpha 95.18131
_cell_angle_beta 95.18131
_cell_angle_gamma 95.18131
_cell_volume 408.28591
_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
Sr1 Sr 0.29951 0.29951 0.29951 1.00000
Sr2 Sr 0.70049 0.70049 0.70049 1.00000
Sr3 Sr 0.11075 0.39878 0.75960 1.00000
Sr4 Sr 0.75960 0.11075 0.39878 1.00000
Sr5 Sr 0.39878 0.75960 0.11075 1.00000
Sr6 Sr 0.88925 0.60122 0.24040 1.00000
Sr7 Sr 0.24040 0.88925 0.60122 1.00000
Sr8 Sr 0.60122 0.24040 0.88925 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
H1 H 0.62252 0.35250 0.23044 1.00000
H2 H 0.23044 0.62252 0.35250 1.00000
H3 H 0.35250 0.23044 0.62252 1.00000
H4 H 0.37748 0.64750 0.76956 1.00000
H5 H 0.76956 0.37748 0.64750 1.00000
H6 H 0.64750 0.76956 0.37748 1.00000
Get direct link