Pm2Sm12Y
Alexandria ALEXAlex-ID: agm005773398 · Space group: Cmme (#67)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_71_spg67
Sm2Y PmSm2 Sm
2023-07-18 13:42:19.185431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773398).
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 agm005773398
data_agm005773398
_cell_length_a 6.79948
_cell_length_b 6.79948
_cell_length_c 24.99338
_cell_angle_alpha 89.99978
_cell_angle_beta 90.00022
_cell_angle_gamma 63.67230
_cell_volume 1035.65660
_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
Pm1 Pm 0.50000 0.00000 0.27245 1.00000
Pm2 Pm 1.00000 0.50000 0.26621 1.00000
Pm3 Pm 0.00000 0.50000 0.72755 1.00000
Pm4 Pm 0.50000 1.00000 0.73379 1.00000
Sm1 Sm 0.50000 0.50000 0.80069 1.00000
Sm2 Sm 1.00000 0.00000 0.80069 1.00000
Sm3 Sm 0.75135 0.74865 0.87222 1.00000
Sm4 Sm 0.25108 0.75108 0.92368 1.00000
Sm5 Sm 1.00000 0.00000 0.32660 1.00000
Sm6 Sm 0.24892 0.74892 0.07632 1.00000
Sm7 Sm 0.77269 0.27269 0.56003 1.00000
Sm8 Sm 0.50000 0.50000 0.32660 1.00000
Sm9 Sm 0.24865 0.25135 0.87222 1.00000
Sm10 Sm 0.74865 0.75135 0.12778 1.00000
Sm11 Sm 0.26847 0.23153 0.58319 1.00000
Sm12 Sm 0.72731 0.22731 0.43997 1.00000
Sm13 Sm 0.00000 1.00000 0.67340 1.00000
Sm14 Sm 0.23153 0.26847 0.41681 1.00000
Sm15 Sm 0.25135 0.24865 0.12778 1.00000
Sm16 Sm 0.76847 0.73153 0.41681 1.00000
Sm17 Sm 0.73153 0.76847 0.58319 1.00000
Sm18 Sm 0.00000 1.00000 0.19931 1.00000
Sm19 Sm 0.22731 0.72731 0.56003 1.00000
Sm20 Sm 0.50000 0.50000 0.67340 1.00000
Sm21 Sm 0.74892 0.24892 0.92368 1.00000
Sm22 Sm 0.50000 0.50000 0.19931 1.00000
Sm23 Sm 0.27269 0.77269 0.43997 1.00000
Sm24 Sm 0.75108 0.25108 0.07632 1.00000
Y1 Y 0.50000 1.00000 0.00031 1.00000
Y2 Y 1.00000 0.50000 0.99969 1.00000
