Ba3TlRh
Alexandria ALEXAlex-ID: agm005756239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1539_spg12
Ba3Rh BaTl BaRh
2023-07-05 14:17:49.689909
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756239).
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 agm005756239
data_agm005756239
_cell_length_a 4.71020
_cell_length_b 8.98444
_cell_length_c 10.93958
_cell_angle_alpha 77.36559
_cell_angle_beta 77.56789
_cell_angle_gamma 74.80345
_cell_volume 429.76414
_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
Ba1 Ba 0.83803 0.01843 0.30551 1.00000
Ba2 Ba 0.16197 0.98157 0.69449 1.00000
Ba3 Ba 0.63024 0.70600 0.03352 1.00000
Ba4 Ba 0.36976 0.29400 0.96648 1.00000
Ba5 Ba 0.87140 0.57452 0.68268 1.00000
Ba6 Ba 0.12860 0.42548 0.31732 1.00000
Tl1 Tl 0.43607 0.71011 0.41776 1.00000
Tl2 Tl 0.56393 0.28989 0.58224 1.00000
Rh1 Rh 0.23964 0.66850 0.85223 1.00000
Rh2 Rh 0.76036 0.33150 0.14777 1.00000
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