Tl2BH7
Alexandria ALEXAlex-ID: agm006197847 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1608_spg1
TlBH4 TlH3
2024-02-01 08:43:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197847).
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 agm006197847
data_agm006197847
_cell_length_a 10.00050
_cell_length_b 8.37383
_cell_length_c 8.06464
_cell_angle_alpha 154.02605
_cell_angle_beta 37.35920
_cell_angle_gamma 135.29176
_cell_volume 179.46277
_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
H1 H 0.14867 0.62349 0.08048 1.00000
H2 H 0.96998 0.13838 0.77084 1.00000
H3 H 0.02348 0.25426 0.01707 1.00000
H4 H 0.81147 0.61637 0.45886 1.00000
H5 H 0.42015 0.91423 0.76457 1.00000
H6 H 0.95190 0.30436 0.86884 1.00000
H7 H 0.91650 0.37300 0.72580 1.00000
Tl1 Tl 0.25511 0.44299 0.33095 1.00000
Tl2 Tl 0.74769 0.92949 0.31981 1.00000
B1 B 0.98742 0.46083 0.13092 1.00000
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