Sc3TlIn2
Alexandria ALEXAlex-ID: agm040765276 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1210_spg12
ScTl ScIn
2024-12-20 09:34:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040765276).
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 agm040765276
data_agm040765276
_cell_length_a 7.23139
_cell_length_b 7.23139
_cell_length_c 8.70746
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.16538
_cell_volume 272.97916
_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
Sc1 Sc 0.83325 0.16675 0.74923 1.00000
Sc2 Sc 0.50000 0.50000 0.25257 1.00000
Sc3 Sc 0.16675 0.83325 0.25077 1.00000
Sc4 Sc 0.83325 0.16675 0.25077 1.00000
Sc5 Sc 0.16675 0.83325 0.74923 1.00000
Sc6 Sc 0.50000 0.50000 0.74743 1.00000
Tl1 Tl 0.33617 0.66383 0.00000 1.00000
Tl2 Tl 0.66383 0.33617 0.00000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.00000 0.00000 0.50000 1.00000
In3 In 0.33310 0.66690 0.50000 1.00000
In4 In 0.66690 0.33310 0.50000 1.00000
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