Sr3Tl7Hg4
Alexandria ALEXAlex-ID: agm005704149 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
SrTl5 SrTlHg2
2023-06-29 17:59:43.475760
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704149).
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 agm005704149
data_agm005704149
_cell_length_a 5.07534
_cell_length_b 9.60864
_cell_length_c 9.66880
_cell_angle_alpha 74.97088
_cell_angle_beta 74.78394
_cell_angle_gamma 74.68632
_cell_volume 429.59309
_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 0.29815 0.18857 0.21514 1.00000
Sr2 Sr 0.70185 0.81143 0.78486 1.00000
Sr3 Sr 0.00000 0.50000 0.50000 1.00000
Tl1 Tl 0.34338 0.79770 0.51553 1.00000
Tl2 Tl 0.49025 0.19080 0.82870 1.00000
Tl3 Tl 0.84281 0.38865 0.92574 1.00000
Tl4 Tl 0.65662 0.20230 0.48447 1.00000
Tl5 Tl 0.15719 0.61135 0.07426 1.00000
Tl6 Tl 0.00000 0.00000 0.00000 1.00000
Tl7 Tl 0.50975 0.80920 0.17130 1.00000
Hg1 Hg 0.64836 0.46488 0.23840 1.00000
Hg2 Hg 0.35164 0.53512 0.76160 1.00000
Hg3 Hg 0.86142 0.91803 0.35913 1.00000
Hg4 Hg 0.13858 0.08197 0.64087 1.00000
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