Nd(BRh2)4
Alexandria ALEXAlex-ID: agm003671333 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
BRh2 Nd2(B2Rh3)3 Rh
2022-04-20 20:43:21.359554
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003671333).
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 agm003671333
data_agm003671333
_cell_length_a 4.90832
_cell_length_b 6.31367
_cell_length_c 6.31367
_cell_angle_alpha 81.30977
_cell_angle_beta 67.12600
_cell_angle_gamma 67.12600
_cell_volume 166.09550
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
B1 B 0.00000 0.00000 0.50000 1.00000
B2 B 0.50000 0.00000 0.50000 1.00000
B3 B 0.00000 0.50000 0.00000 1.00000
B4 B 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.00000 0.33541 0.66459 1.00000
Rh2 Rh 1.00000 0.66459 0.33541 1.00000
Rh3 Rh 0.33541 0.66459 0.66459 1.00000
Rh4 Rh 0.66459 0.33541 0.33541 1.00000
Rh5 Rh 0.50000 0.77365 0.22635 1.00000
Rh6 Rh 0.50000 0.22635 0.77365 1.00000
Rh7 Rh 0.27365 0.22635 0.22635 1.00000
Rh8 Rh 0.72635 0.77365 0.77365 1.00000
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