PrNiSb
Alexandria ALEXAlex-ID: agm069529238 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_28_spg194
PrNiSb
2025-03-01 08:51:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069529238).
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 agm069529238
data_agm069529238
_cell_length_a 4.39493
_cell_length_b 4.39493
_cell_length_c 16.73051
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 279.86143
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.00000 0.00000 0.50000 1.00000
Pr3 Pr 0.00000 0.00000 0.75000 1.00000
Pr4 Pr 0.00000 0.00000 0.25000 1.00000
Ni1 Ni 0.66667 0.33333 0.63212 1.00000
Ni2 Ni 0.33333 0.66667 0.13212 1.00000
Ni3 Ni 0.33333 0.66667 0.36788 1.00000
Ni4 Ni 0.66667 0.33333 0.86788 1.00000
Sb1 Sb 0.66667 0.33333 0.12245 1.00000
Sb2 Sb 0.33333 0.66667 0.62245 1.00000
Sb3 Sb 0.33333 0.66667 0.87755 1.00000
Sb4 Sb 0.66667 0.33333 0.37755 1.00000
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