Tl3V13
Alexandria ALEXAlex-ID: agm007809760 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B13_24_spg6
V Tl
2024-06-28 03:04:43.986522
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007809760).
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 agm007809760
data_agm007809760
_cell_length_a 5.50781
_cell_length_b 5.50781
_cell_length_c 8.63612
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 111.46285
_cell_volume 243.81746
_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 0.01145 0.98855 0.74843 1.00000
Tl2 Tl 0.72625 0.27375 0.00000 1.00000
Tl3 Tl 0.01145 0.98855 0.25157 1.00000
V1 V 0.01898 0.49566 0.73127 1.00000
V2 V 0.50017 0.49983 0.74780 1.00000
V3 V 0.50434 0.98102 0.73127 1.00000
V4 V 0.25173 0.32117 0.00000 1.00000
V5 V 0.67883 0.74827 0.00000 1.00000
V6 V 0.24149 0.75851 0.00000 1.00000
V7 V 0.01898 0.49566 0.26873 1.00000
V8 V 0.50017 0.49983 0.25220 1.00000
V9 V 0.50434 0.98102 0.26873 1.00000
V10 V 0.75766 0.24234 0.50000 1.00000
V11 V 0.29604 0.28100 0.50000 1.00000
V12 V 0.71900 0.70396 0.50000 1.00000
V13 V 0.25911 0.74089 0.50000 1.00000
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