Mg3(ScTl2)2
Alexandria ALEXAlex-ID: agm005667770 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
MgScTl2 Mg3Sc2Tl3 Mg2Tl
2023-06-30 20:39:38.318587
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667770).
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 agm005667770
data_agm005667770
_cell_length_a 4.89281
_cell_length_b 4.94262
_cell_length_c 10.21332
_cell_angle_alpha 88.47929
_cell_angle_beta 90.03210
_cell_angle_gamma 60.31611
_cell_volume 214.47724
_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
Mg1 Mg 0.33656 0.32706 0.43392 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Mg3 Mg 0.66344 0.67294 0.56608 1.00000
Sc1 Sc 0.32857 0.34259 0.77625 1.00000
Sc2 Sc 0.67143 0.65741 0.22375 1.00000
Tl1 Tl 0.66452 0.67085 0.89285 1.00000
Tl2 Tl 0.00707 0.98628 0.33500 1.00000
Tl3 Tl 0.99293 0.01372 0.66500 1.00000
Tl4 Tl 0.33548 0.32915 0.10715 1.00000
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