Y3B2Rh2N3
Alexandria ALEXAlex-ID: agm002200945 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D3_0_spg139
YBRhN YN
2018-10-12 10:04:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002200945).
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 agm002200945
data_agm002200945
_cell_length_a 3.67161
_cell_length_b 3.67161
_cell_length_c 10.28459
_cell_angle_alpha 100.25793
_cell_angle_beta 100.25793
_cell_angle_gamma 90.00999
_cell_volume 134.17430
_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
Y1 Y 0.62008 0.62008 0.24003 1.00000
Y2 Y 0.37984 0.37984 0.75997 1.00000
Y3 Y 0.99994 0.99994 1.00000 1.00000
B1 B 0.80933 0.80933 0.61858 1.00000
B2 B 0.19078 0.19078 0.38142 1.00000
Rh1 Rh 0.25011 0.75002 0.50000 1.00000
Rh2 Rh 0.75002 0.25011 0.50000 1.00000
N1 N 0.88415 0.88415 0.76794 1.00000
N2 N 0.49992 0.49992 0.00000 1.00000
N3 N 0.11580 0.11580 0.23206 1.00000
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