Ba3(MgTl)4
Alexandria ALEXAlex-ID: agm005697063 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_1_spg71
Ba(MgTl)2 BaMgTl
2023-06-29 20:58:43.378271
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697063).
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 agm005697063
data_agm005697063
_cell_length_a 5.06288
_cell_length_b 8.31297
_cell_length_c 9.81752
_cell_angle_alpha 115.04783
_cell_angle_beta 104.94248
_cell_angle_gamma 90.00000
_cell_volume 358.85463
_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
Ba1 Ba 0.12773 0.12773 0.25547 1.00000
Ba2 Ba 0.87227 0.87227 0.74453 1.00000
Ba3 Ba 0.00000 0.50000 0.00000 1.00000
Mg1 Mg 0.32854 0.13996 0.65708 1.00000
Mg2 Mg 0.67146 0.48288 0.34292 1.00000
Mg3 Mg 0.67146 0.86004 0.34292 1.00000
Mg4 Mg 0.32854 0.51712 0.65708 1.00000
Tl1 Tl 0.21849 0.71849 0.43698 1.00000
Tl2 Tl 0.78151 0.28151 0.56302 1.00000
Tl3 Tl 0.50000 0.81034 0.00000 1.00000
Tl4 Tl 0.50000 0.18966 1.00000 1.00000
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