PmSm2Y3N6
Alexandria ALEXAlex-ID: agm034218113 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_125_spg2
PmSm4N5 Pm4SmN5 YN
2025-02-25 06:51:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034218113).
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
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# CIF generated by HEAS from Alexandria entry agm034218113
data_agm034218113
_cell_length_a 7.91275
_cell_length_b 7.91275
_cell_length_c 7.07959
_cell_angle_alpha 77.04646
_cell_angle_beta 102.95354
_cell_angle_gamma 154.15840
_cell_volume 188.03279
_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 0.50000 0.00000 1.00000
Sm1 Sm 0.83315 0.16685 0.66638 1.00000
Sm2 Sm 0.16685 0.83315 0.33362 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.83309 0.16691 0.16690 1.00000
Y3 Y 0.16691 0.83309 0.83310 1.00000
N1 N 0.33144 0.66856 0.91937 1.00000
N2 N 0.66548 0.33452 0.58685 1.00000
N3 N 0.66856 0.33144 0.08063 1.00000
N4 N 0.99867 0.00133 0.25453 1.00000
N5 N 0.00133 0.99867 0.74547 1.00000
N6 N 0.33452 0.66548 0.41315 1.00000
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