CrTcRh4
Alexandria ALEXAlex-ID: agm005753569 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1428_spg38
CrRh3 TcRh
2023-07-28 03:18:32.859835
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753569).
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 agm005753569
data_agm005753569
_cell_length_a 2.71412
_cell_length_b 4.31384
_cell_length_c 7.18428
_cell_angle_alpha 89.99940
_cell_angle_beta 100.99994
_cell_angle_gamma 90.00002
_cell_volume 82.57007
_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
Cr1 Cr 0.61670 0.00269 0.47749 1.00000
Tc1 Tc 0.39048 0.50274 0.02781 1.00000
Rh1 Rh 0.27658 0.00272 0.79808 1.00000
Rh2 Rh 0.95205 0.00271 0.14781 1.00000
Rh3 Rh 0.05888 0.50269 0.36521 1.00000
Rh4 Rh 0.72427 0.50273 0.69477 1.00000
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