Yb3B2Rh2N3
Alexandria ALEXAlex-ID: agm002200941 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D3_0_spg139
YbBRhN Yb3BN3 YbRh2 BN
2018-12-29 00:11:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002200941).
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 agm002200941
data_agm002200941
_cell_length_a 3.62946
_cell_length_b 3.62946
_cell_length_c 10.56840
_cell_angle_alpha 99.85526
_cell_angle_beta 99.85648
_cell_angle_gamma 90.00000
_cell_volume 135.07681
_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
B1 B 0.81488 0.81488 0.63007 1.00000
B2 B 0.18497 0.18497 0.36989 1.00000
Yb1 Yb 0.61742 0.61742 0.23451 1.00000
Yb2 Yb 0.38246 0.38246 0.76546 1.00000
Yb3 Yb 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.25000 0.75025 0.50000 1.00000
Rh2 Rh 0.75025 0.25000 0.50000 1.00000
N1 N 0.88155 0.88155 0.76353 1.00000
N2 N 0.50000 0.50000 0.00000 1.00000
N3 N 0.11834 0.11834 0.23649 1.00000
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