Pr5NiSb2
Alexandria ALEXAlex-ID: agm005233568 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_36_spg62
Pr3Ni PrNi Pr5Sb3
2024-10-06 07:21:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005233568).
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 agm005233568
data_agm005233568
_cell_length_a 8.27372
_cell_length_b 9.22932
_cell_length_c 12.63308
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 964.67264
_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 0.64365 0.75000 0.70166 1.00000
Pr2 Pr 0.35635 0.25000 0.29834 1.00000
Pr3 Pr 0.14365 0.25000 0.79834 1.00000
Pr4 Pr 0.85635 0.75000 0.20166 1.00000
Pr5 Pr 0.13283 0.75000 0.79928 1.00000
Pr6 Pr 0.86717 0.25000 0.20072 1.00000
Pr7 Pr 0.63283 0.25000 0.70072 1.00000
Pr8 Pr 0.36717 0.75000 0.29928 1.00000
Pr9 Pr 0.51201 0.75000 0.00055 1.00000
Pr10 Pr 0.48799 0.25000 0.99945 1.00000
Pr11 Pr 0.01201 0.25000 0.49945 1.00000
Pr12 Pr 0.98799 0.75000 0.50055 1.00000
Pr13 Pr 0.81304 0.48550 0.93922 1.00000
Pr14 Pr 0.18696 0.51450 0.06078 1.00000
Pr15 Pr 0.31304 0.51450 0.56078 1.00000
Pr16 Pr 0.18696 0.98550 0.06078 1.00000
Pr17 Pr 0.68696 0.48550 0.43922 1.00000
Pr18 Pr 0.81304 0.01450 0.93922 1.00000
Pr19 Pr 0.68696 0.01450 0.43922 1.00000
Pr20 Pr 0.31304 0.98550 0.56078 1.00000
Ni1 Ni 0.96940 0.75000 0.99358 1.00000
Ni2 Ni 0.03060 0.25000 0.00642 1.00000
Ni3 Ni 0.46940 0.25000 0.50642 1.00000
Ni4 Ni 0.53060 0.75000 0.49358 1.00000
Sb1 Sb 0.92245 0.00285 0.67474 1.00000
Sb2 Sb 0.07755 0.99715 0.32526 1.00000
Sb3 Sb 0.42245 0.99715 0.82526 1.00000
Sb4 Sb 0.07755 0.50285 0.32526 1.00000
Sb5 Sb 0.57755 0.00285 0.17474 1.00000
Sb6 Sb 0.92245 0.49715 0.67474 1.00000
Sb7 Sb 0.57755 0.49715 0.17474 1.00000
Sb8 Sb 0.42245 0.50285 0.82526 1.00000
