Pr2Y(MnSi)6
Alexandria ALEXAlex-ID: agm020463521 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D6_22_spg139
Y(MnSi)2 Pr(MnSi)2
2024-11-03 03:56:48.223947
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020463521).
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 agm020463521
data_agm020463521
_cell_length_a 15.97578
_cell_length_b 15.97578
_cell_length_c 15.97578
_cell_angle_alpha 165.78935
_cell_angle_beta 165.78935
_cell_angle_gamma 20.14908
_cell_volume 245.69283
_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 0.33444 0.33444 0.00000 1.00000
Pr2 Pr 0.66556 0.66556 0.00000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.41882 0.91882 0.50000 1.00000
Mn2 Mn 0.75000 0.25000 0.50000 1.00000
Mn3 Mn 0.08118 0.58118 0.50000 1.00000
Mn4 Mn 0.91882 0.41882 0.50000 1.00000
Mn5 Mn 0.25000 0.75000 0.50000 1.00000
Mn6 Mn 0.58118 0.08118 0.50000 1.00000
Si1 Si 0.46045 0.46045 0.00000 1.00000
Si2 Si 0.79195 0.79195 0.00000 1.00000
Si3 Si 0.12325 0.12325 0.00000 1.00000
Si4 Si 0.87675 0.87675 0.00000 1.00000
Si5 Si 0.20805 0.20805 0.00000 1.00000
Si6 Si 0.53955 0.53955 0.00000 1.00000
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