Li4BeTl8
Alexandria ALEXAlex-ID: agm098187136 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_426_spg2
Tl Be LiTl
2025-06-16 09:01:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098187136).
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
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# CIF generated by HEAS from Alexandria entry agm098187136
data_agm098187136
_cell_length_a 3.79755
_cell_length_b 10.11634
_cell_length_c 9.71179
_cell_angle_alpha 61.28889
_cell_angle_beta 90.00939
_cell_angle_gamma 79.23607
_cell_volume 319.71738
_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
Li1 Li 0.96394 0.84879 0.07526 1.00000
Li2 Li 0.09835 0.56846 0.97125 1.00000
Li3 Li 0.09837 0.56860 0.46018 1.00000
Li4 Li 0.90270 0.95948 0.52019 1.00000
Be1 Be 0.35708 0.06782 0.96521 1.00000
Tl1 Tl 0.79085 0.18894 0.12576 1.00000
Tl2 Tl 0.59835 0.57208 0.21408 1.00000
Tl3 Tl 0.54428 0.66622 0.66636 1.00000
Tl4 Tl 0.79101 0.18830 0.68677 1.00000
Tl5 Tl 0.45286 0.87135 0.29329 1.00000
Tl6 Tl 0.25130 0.25782 0.37198 1.00000
Tl7 Tl 0.19771 0.37181 0.81461 1.00000
Tl8 Tl 0.45320 0.87033 0.83503 1.00000
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