CaTl2InSb2
Alexandria ALEXAlex-ID: agm004740232 · Space group: Pmc2_1 (#26)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_289_spg26
Tl5Sb Ca5(InSb3)2 Tl InSb
2022-07-11 19:13:42.729334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004740232).
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 agm004740232
data_agm004740232
_cell_length_a 4.62377
_cell_length_b 7.62638
_cell_length_c 10.71283
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 377.76239
_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
Ca1 Ca 0.00000 0.98488 0.42324 1.00000
Ca2 Ca 0.00000 0.48488 0.57676 1.00000
Tl1 Tl 0.50000 0.04801 0.03670 1.00000
Tl2 Tl 0.00000 0.32249 0.17186 1.00000
Tl3 Tl 0.50000 0.54801 0.96330 1.00000
Tl4 Tl 0.00000 0.82249 0.82814 1.00000
In1 In 0.50000 0.15145 0.68026 1.00000
In2 In 0.50000 0.65145 0.31974 1.00000
Sb1 Sb 0.00000 0.25959 0.83394 1.00000
Sb2 Sb 0.50000 0.27919 0.41178 1.00000
Sb3 Sb 0.00000 0.75959 0.16606 1.00000
Sb4 Sb 0.50000 0.77919 0.58822 1.00000
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