Sm3Tm2N4
Alexandria ALEXAlex-ID: agm005694747 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Sm6N5 Sm TmN
2023-06-27 19:24:00.020385
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694747).
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 agm005694747
data_agm005694747
_cell_length_a 3.50492
_cell_length_b 3.50492
_cell_length_c 14.66240
_cell_angle_alpha 90.06199
_cell_angle_beta 89.93799
_cell_angle_gamma 119.99413
_cell_volume 155.99756
_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
Sm1 Sm 0.66568 0.33432 0.38089 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.33432 0.66568 0.61911 1.00000
Tm1 Tm 0.66715 0.33285 0.80986 1.00000
Tm2 Tm 0.33285 0.66715 0.19014 1.00000
N1 N 0.33360 0.66640 0.89534 1.00000
N2 N 0.99919 0.00081 0.29221 1.00000
N3 N 0.00081 0.99919 0.70779 1.00000
N4 N 0.66640 0.33360 0.10466 1.00000
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