SrTlPd
Alexandria ALEXAlex-ID: agm014350106 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_268_spg11
SrTlPd
2024-12-06 07:34:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014350106).
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 agm014350106
data_agm014350106
_cell_length_a 7.89369
_cell_length_b 4.44512
_cell_length_c 13.53146
_cell_angle_alpha 90.00000
_cell_angle_beta 91.07061
_cell_angle_gamma 90.00000
_cell_volume 474.71467
_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 0.03233 0.75000 0.12431 1.00000
Sr2 Sr 0.45922 0.25000 0.79040 1.00000
Sr3 Sr 0.54078 0.75000 0.20960 1.00000
Sr4 Sr 0.15845 0.75000 0.42163 1.00000
Sr5 Sr 0.96767 0.25000 0.87569 1.00000
Sr6 Sr 0.84155 0.25000 0.57837 1.00000
Tl1 Tl 0.49256 0.25000 0.40937 1.00000
Tl2 Tl 0.34666 0.25000 0.04472 1.00000
Tl3 Tl 0.12471 0.75000 0.70465 1.00000
Tl4 Tl 0.65334 0.75000 0.95528 1.00000
Tl5 Tl 0.87529 0.25000 0.29535 1.00000
Tl6 Tl 0.50744 0.75000 0.59063 1.00000
Pd1 Pd 0.26168 0.25000 0.59036 1.00000
Pd2 Pd 0.75971 0.75000 0.74903 1.00000
Pd3 Pd 0.26484 0.75000 0.91745 1.00000
Pd4 Pd 0.73832 0.75000 0.40964 1.00000
Pd5 Pd 0.73516 0.25000 0.08255 1.00000
Pd6 Pd 0.24029 0.25000 0.25097 1.00000
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