NdPa2Rh3
Alexandria ALEXAlex-ID: agm012767259 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2475_spg14
PaRh NdPaRh2
2025-04-14 08:17:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012767259).
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 agm012767259
data_agm012767259
_cell_length_a 5.82931
_cell_length_b 12.90377
_cell_length_c 7.25368
_cell_angle_alpha 90.00000
_cell_angle_beta 104.93169
_cell_angle_gamma 90.00000
_cell_volume 527.19850
_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 0.70062 0.93085 0.37278 1.00000
Nd2 Nd 0.70062 0.56915 0.87278 1.00000
Nd3 Nd 0.29938 0.43085 0.12722 1.00000
Nd4 Nd 0.29938 0.06915 0.62722 1.00000
Pa1 Pa 0.72453 0.21672 0.37244 1.00000
Pa2 Pa 0.72453 0.28328 0.87244 1.00000
Pa3 Pa 0.84375 0.59143 0.39429 1.00000
Pa4 Pa 0.84375 0.90857 0.89429 1.00000
Pa5 Pa 0.15625 0.09143 0.10571 1.00000
Pa6 Pa 0.15625 0.40857 0.60571 1.00000
Pa7 Pa 0.27547 0.71672 0.12756 1.00000
Pa8 Pa 0.27547 0.78328 0.62756 1.00000
Rh1 Rh 0.82201 0.39896 0.19591 1.00000
Rh2 Rh 0.82201 0.10104 0.69591 1.00000
Rh3 Rh 0.63808 0.09995 0.05335 1.00000
Rh4 Rh 0.63808 0.40005 0.55335 1.00000
Rh5 Rh 0.78543 0.74555 0.15021 1.00000
Rh6 Rh 0.78543 0.75445 0.65021 1.00000
Rh7 Rh 0.21457 0.24555 0.34979 1.00000
Rh8 Rh 0.21457 0.25445 0.84979 1.00000
Rh9 Rh 0.36192 0.59995 0.44665 1.00000
Rh10 Rh 0.36192 0.90005 0.94665 1.00000
Rh11 Rh 0.17799 0.89896 0.30409 1.00000
Rh12 Rh 0.17799 0.60104 0.80409 1.00000
