Cs2TaRh
Alexandria ALEXAlex-ID: agm005498682 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1069_spg122
Ta3Rh Cs TaRh2
2023-03-19 03:46:06.350230
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005498682).
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 agm005498682
data_agm005498682
_cell_length_a 9.97580
_cell_length_b 9.97580
_cell_length_c 9.97580
_cell_angle_alpha 93.21534
_cell_angle_beta 93.21534
_cell_angle_gamma 152.60088
_cell_volume 443.85630
_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
Cs1 Cs 0.70217 0.37500 0.82717 1.00000
Cs2 Cs 0.54783 0.87500 0.17283 1.00000
Cs3 Cs 0.12500 0.29783 0.67283 1.00000
Cs4 Cs 0.62500 0.45217 0.32717 1.00000
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Ta2 Ta 0.25000 0.75000 0.50000 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.75000 0.25000 0.50000 1.00000
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