SrTlRh
Alexandria ALEXAlex-ID: agm003599525 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7766_spg74
SrTlRh
2022-03-10 04:51:23.053387
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003599525).
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 agm003599525
data_agm003599525
_cell_length_a 5.54983
_cell_length_b 6.16226
_cell_length_c 6.16197
_cell_angle_alpha 69.56215
_cell_angle_beta 63.19391
_cell_angle_gamma 63.19408
_cell_volume 165.04160
_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 0.96077 0.76770 0.95484 1.00000
Sr2 Sr 0.46077 0.26784 0.45469 1.00000
Tl1 Tl 0.21064 0.93023 0.29250 1.00000
Tl2 Tl 0.71060 0.60558 0.61722 1.00000
Rh1 Rh 0.46088 0.26769 0.95473 1.00000
Rh2 Rh 0.96086 0.26777 0.95466 1.00000
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