Sr2Ca4Tl
Alexandria ALEXAlex-ID: agm017751190 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2510_spg71
Ca8Tl3 Sr Ca
2025-04-30 19:53:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017751190).
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 agm017751190
data_agm017751190
_cell_length_a 18.17664
_cell_length_b 18.17664
_cell_length_c 18.17664
_cell_angle_alpha 167.25185
_cell_angle_beta 167.25185
_cell_angle_gamma 18.06619
_cell_volume 292.39991
_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
Sr1 Sr 0.05695 0.05695 0.00000 1.00000
Sr2 Sr 0.94305 0.94305 0.00000 1.00000
Ca1 Ca 0.21367 0.21367 0.00000 1.00000
Ca2 Ca 0.78633 0.78633 0.00000 1.00000
Ca3 Ca 0.35943 0.35943 0.00000 1.00000
Ca4 Ca 0.64057 0.64057 0.00000 1.00000
Tl1 Tl 0.50000 0.50000 0.00000 1.00000
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