Sm2Th3N4
Alexandria ALEXAlex-ID: agm005690576 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
SmThN2 SmTh5N6 Sm
2023-06-27 19:20:52.703234
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690576).
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 agm005690576
data_agm005690576
_cell_length_a 3.63728
_cell_length_b 6.38665
_cell_length_c 8.09666
_cell_angle_alpha 75.62131
_cell_angle_beta 77.01970
_cell_angle_gamma 73.45569
_cell_volume 172.23571
_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 0.60935 0.17085 0.61045 1.00000
Sm2 Sm 0.39065 0.82915 0.38955 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.20080 0.40083 0.19757 1.00000
Th3 Th 0.79920 0.59917 0.80243 1.00000
N1 N 0.79321 0.11412 0.29946 1.00000
N2 N 0.20679 0.88588 0.70054 1.00000
N3 N 0.39768 0.30087 0.90377 1.00000
N4 N 0.60232 0.69913 0.09623 1.00000
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