Nd(RhN2)3
Alexandria ALEXAlex-ID: agm071292038 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_2670_spg212
RhN2 Rh NdN
2024-08-07 05:20:29.343554
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071292038).
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 agm071292038
data_agm071292038
_cell_length_a 8.30352
_cell_length_b 8.30352
_cell_length_c 8.30352
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 572.51449
_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 0.12500 0.12500 0.12500 1.00000
Nd2 Nd 0.37500 0.87500 0.62500 1.00000
Nd3 Nd 0.87500 0.62500 0.37500 1.00000
Nd4 Nd 0.62500 0.37500 0.87500 1.00000
Rh1 Rh 0.62500 0.13181 0.11819 1.00000
Rh2 Rh 0.87500 0.86819 0.61819 1.00000
Rh3 Rh 0.37500 0.63181 0.38181 1.00000
Rh4 Rh 0.12500 0.36819 0.88181 1.00000
Rh5 Rh 0.11819 0.62500 0.13181 1.00000
Rh6 Rh 0.61819 0.87500 0.86819 1.00000
Rh7 Rh 0.38181 0.37500 0.63181 1.00000
Rh8 Rh 0.88181 0.12500 0.36819 1.00000
Rh9 Rh 0.13181 0.11819 0.62500 1.00000
Rh10 Rh 0.86819 0.61819 0.87500 1.00000
Rh11 Rh 0.63181 0.38181 0.37500 1.00000
Rh12 Rh 0.36819 0.88181 0.12500 1.00000
N1 N 0.23569 0.07986 0.40568 1.00000
N2 N 0.26431 0.92014 0.90568 1.00000
N3 N 0.76431 0.57986 0.09432 1.00000
N4 N 0.73569 0.42014 0.59432 1.00000
N5 N 0.40568 0.23569 0.07986 1.00000
N6 N 0.90568 0.26431 0.92014 1.00000
N7 N 0.09432 0.76431 0.57986 1.00000
N8 N 0.59432 0.73569 0.42014 1.00000
N9 N 0.07986 0.40568 0.23569 1.00000
N10 N 0.92014 0.90568 0.26431 1.00000
N11 N 0.57986 0.09432 0.76431 1.00000
N12 N 0.42014 0.59432 0.73569 1.00000
N13 N 0.32986 0.98569 0.34432 1.00000
N14 N 0.17014 0.01431 0.84432 1.00000
N15 N 0.82986 0.51431 0.65568 1.00000
N16 N 0.67014 0.48569 0.15568 1.00000
N17 N 0.48569 0.15568 0.67014 1.00000
N18 N 0.51431 0.65568 0.82986 1.00000
N19 N 0.01431 0.84432 0.17014 1.00000
N20 N 0.98569 0.34432 0.32986 1.00000
N21 N 0.65568 0.82986 0.51431 1.00000
N22 N 0.15568 0.67014 0.48569 1.00000
N23 N 0.34432 0.32986 0.98569 1.00000
N24 N 0.84432 0.17014 0.01431 1.00000
