Tl2H5C2
Alexandria ALEXAlex-ID: agm007369293 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1390_spg12
H4C Tl C
2024-08-14 02:23:48.945774
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007369293).
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 agm007369293
data_agm007369293
_cell_length_a 4.80320
_cell_length_b 4.80320
_cell_length_c 8.73484
_cell_angle_alpha 73.95570
_cell_angle_beta 73.95570
_cell_angle_gamma 47.94006
_cell_volume 142.60882
_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
Tl1 Tl 0.78473 0.78473 0.15606 1.00000
Tl2 Tl 0.21527 0.21527 0.84394 1.00000
H1 H 0.28950 0.28950 0.38855 1.00000
H2 H 0.71050 0.71050 0.61145 1.00000
H3 H 0.10015 0.10015 0.35119 1.00000
H4 H 0.89985 0.89985 0.64881 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
C1 C 0.76952 0.76952 0.70649 1.00000
C2 C 0.23048 0.23048 0.29351 1.00000
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