Sr3TlPd
Alexandria ALEXAlex-ID: agm005802204 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7606_spg12
Sr5TlPd2 SrTl
2023-07-05 21:16:00.704701
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802204).
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 agm005802204
data_agm005802204
_cell_length_a 4.50767
_cell_length_b 8.95732
_cell_length_c 9.90035
_cell_angle_alpha 73.01323
_cell_angle_beta 76.84110
_cell_angle_gamma 75.42662
_cell_volume 364.83628
_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 0.82730 0.03396 0.31143 1.00000
Sr2 Sr 0.17270 0.96604 0.68857 1.00000
Sr3 Sr 0.59340 0.76318 0.05002 1.00000
Sr4 Sr 0.40660 0.23682 0.94998 1.00000
Sr5 Sr 0.86507 0.56094 0.70892 1.00000
Sr6 Sr 0.13493 0.43906 0.29108 1.00000
Tl1 Tl 0.43041 0.71636 0.42282 1.00000
Tl2 Tl 0.56959 0.28364 0.57718 1.00000
Pd1 Pd 0.23343 0.60373 0.92940 1.00000
Pd2 Pd 0.76657 0.39627 0.07060 1.00000
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