Pr3In3NiRh2
Alexandria ALEXAlex-ID: agm040456065 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
Pr3In3NiRh2
2025-01-29 23:07:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040456065).
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 agm040456065
data_agm040456065
_cell_length_a 7.19857
_cell_length_b 4.50575
_cell_length_c 25.30585
_cell_angle_alpha 90.00000
_cell_angle_beta 89.95450
_cell_angle_gamma 90.00000
_cell_volume 820.79373
_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
Pr1 Pr 0.53897 0.00000 0.93956 1.00000
Pr2 Pr 0.54102 0.00000 0.60690 1.00000
Pr3 Pr 0.54122 0.00000 0.27321 1.00000
Pr4 Pr 0.03833 0.00000 0.89242 1.00000
Pr5 Pr 0.03896 0.00000 0.56051 1.00000
Pr6 Pr 0.03823 0.00000 0.22610 1.00000
Pr7 Pr 0.46163 0.50000 0.72579 1.00000
Pr8 Pr 0.45827 0.50000 0.39288 1.00000
Pr9 Pr 0.45725 0.50000 0.05856 1.00000
Pr10 Pr 0.96057 0.50000 0.77421 1.00000
Pr11 Pr 0.96328 0.50000 0.44111 1.00000
Pr12 Pr 0.96237 0.50000 0.10680 1.00000
In1 In 0.63986 0.00000 0.81053 1.00000
In2 In 0.64375 0.00000 0.47771 1.00000
In3 In 0.64273 0.00000 0.14350 1.00000
In4 In 0.14034 0.00000 0.68979 1.00000
In5 In 0.13733 0.00000 0.35459 1.00000
In6 In 0.13635 0.00000 0.02026 1.00000
In7 In 0.35519 0.50000 0.85204 1.00000
In8 In 0.35982 0.50000 0.52193 1.00000
In9 In 0.35956 0.50000 0.18762 1.00000
In10 In 0.85452 0.50000 0.97990 1.00000
In11 In 0.85526 0.50000 0.64801 1.00000
In12 In 0.85509 0.50000 0.31420 1.00000
Ni1 Ni 0.76115 0.00000 0.70812 1.00000
Ni2 Ni 0.76016 0.00000 0.37433 1.00000
Ni3 Ni 0.75911 0.00000 0.03994 1.00000
Ni4 Ni 0.26108 0.00000 0.79206 1.00000
Rh1 Rh 0.25316 0.00000 0.46032 1.00000
Rh2 Rh 0.25224 0.00000 0.12581 1.00000
Rh3 Rh 0.24494 0.50000 0.95894 1.00000
Rh4 Rh 0.24442 0.50000 0.62871 1.00000
Rh5 Rh 0.24512 0.50000 0.29396 1.00000
Rh6 Rh 0.74408 0.50000 0.87231 1.00000
Rh7 Rh 0.74774 0.50000 0.54075 1.00000
Rh8 Rh 0.74687 0.50000 0.20659 1.00000
