Pr4MnSb9
Alexandria ALEXAlex-ID: agm005283779 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C9_34_spg12
Pr2Sb5 PrMnSb3 PrSb
2023-05-11 18:26:54.503737
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283779).
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 agm005283779
data_agm005283779
_cell_length_a 12.37720
_cell_length_b 12.37720
_cell_length_c 15.83366
_cell_angle_alpha 82.12525
_cell_angle_beta 82.12525
_cell_angle_gamma 19.69925
_cell_volume 809.69828
_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 0.06619 0.06619 0.60808 1.00000
Pr2 Pr 0.93381 0.93381 0.39192 1.00000
Pr3 Pr 0.05903 0.05903 0.18003 1.00000
Pr4 Pr 0.94097 0.94097 0.81997 1.00000
Pr5 Pr 0.11341 0.11341 0.85910 1.00000
Pr6 Pr 0.88659 0.88659 0.14090 1.00000
Pr7 Pr 0.20581 0.20581 0.38746 1.00000
Pr8 Pr 0.79419 0.79419 0.61254 1.00000
Mn1 Mn 0.27024 0.27024 0.87539 1.00000
Mn2 Mn 0.72976 0.72976 0.12461 1.00000
Sb1 Sb 0.07201 0.07201 0.38552 1.00000
Sb2 Sb 0.92799 0.92799 0.61448 1.00000
Sb3 Sb 0.50000 0.50000 0.50000 1.00000
Sb4 Sb 0.19183 0.19183 0.66695 1.00000
Sb5 Sb 0.80817 0.80817 0.33305 1.00000
Sb6 Sb 0.40841 0.40841 0.97973 1.00000
Sb7 Sb 0.59159 0.59159 0.02027 1.00000
Sb8 Sb 0.00000 0.00000 0.00000 1.00000
Sb9 Sb 0.35855 0.35855 0.72943 1.00000
Sb10 Sb 0.64145 0.64145 0.27057 1.00000
Sb11 Sb 0.33421 0.33421 0.45712 1.00000
Sb12 Sb 0.66579 0.66579 0.54288 1.00000
Sb13 Sb 0.71790 0.71790 0.80584 1.00000
Sb14 Sb 0.28210 0.28210 0.19416 1.00000
Sb15 Sb 0.80657 0.80657 0.97162 1.00000
Sb16 Sb 0.19343 0.19343 0.02838 1.00000
Sb17 Sb 0.54029 0.54029 0.76404 1.00000
Sb18 Sb 0.45971 0.45971 0.23596 1.00000
