BeTl2
Alexandria ALEXAlex-ID: agm005447213 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2952_spg8
Tl Be
2023-03-19 06:50:48.381485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005447213).
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 agm005447213
data_agm005447213
_cell_length_a 6.57733
_cell_length_b 6.57733
_cell_length_c 7.00023
_cell_angle_alpha 68.09531
_cell_angle_beta 68.09531
_cell_angle_gamma 30.68931
_cell_volume 142.52940
_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
Be1 Be 0.08093 0.08093 0.02414 1.00000
Be2 Be 0.91907 0.91907 0.97586 1.00000
Tl1 Tl 0.67600 0.67600 0.21494 1.00000
Tl2 Tl 0.39560 0.39560 0.30143 1.00000
Tl3 Tl 0.60440 0.60440 0.69857 1.00000
Tl4 Tl 0.32400 0.32400 0.78506 1.00000
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