SrTl2Rh
Alexandria ALEXAlex-ID: agm005691919 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
SrTl2Rh
2023-07-13 15:25:18.689527
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691919).
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 agm005691919
data_agm005691919
_cell_length_a 6.00528
_cell_length_b 8.26004
_cell_length_c 16.52388
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 819.64827
_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 0.46763 0.25000 0.13949 1.00000
Sr2 Sr 0.96763 0.75000 0.36051 1.00000
Sr3 Sr 0.53237 0.75000 0.86051 1.00000
Sr4 Sr 0.03237 0.25000 0.63949 1.00000
Sr5 Sr 0.75261 0.25000 0.39679 1.00000
Sr6 Sr 0.25261 0.75000 0.10321 1.00000
Sr7 Sr 0.24739 0.75000 0.60321 1.00000
Sr8 Sr 0.74739 0.25000 0.89679 1.00000
Tl1 Tl 0.97391 0.04903 0.21315 1.00000
Tl2 Tl 0.47391 0.95097 0.28685 1.00000
Tl3 Tl 0.02609 0.54903 0.78685 1.00000
Tl4 Tl 0.52609 0.45097 0.71315 1.00000
Tl5 Tl 0.02609 0.95097 0.78685 1.00000
Tl6 Tl 0.52609 0.04903 0.71315 1.00000
Tl7 Tl 0.97391 0.45097 0.21315 1.00000
Tl8 Tl 0.47391 0.54903 0.28685 1.00000
Tl9 Tl 0.75649 0.55325 0.03928 1.00000
Tl10 Tl 0.25649 0.44675 0.46072 1.00000
Tl11 Tl 0.24351 0.05325 0.96072 1.00000
Tl12 Tl 0.74351 0.94675 0.53928 1.00000
Tl13 Tl 0.24351 0.44675 0.96072 1.00000
Tl14 Tl 0.74351 0.55325 0.53928 1.00000
Tl15 Tl 0.75649 0.94675 0.03928 1.00000
Tl16 Tl 0.25649 0.05325 0.46072 1.00000
Rh1 Rh 0.23480 0.25000 0.31515 1.00000
Rh2 Rh 0.73480 0.75000 0.18485 1.00000
Rh3 Rh 0.76520 0.75000 0.68485 1.00000
Rh4 Rh 0.26520 0.25000 0.81515 1.00000
Rh5 Rh 0.98673 0.25000 0.07255 1.00000
Rh6 Rh 0.48673 0.75000 0.42745 1.00000
Rh7 Rh 0.01327 0.75000 0.92745 1.00000
Rh8 Rh 0.51327 0.25000 0.57255 1.00000
