SmEr5N6
Alexandria ALEXAlex-ID: agm006129704 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
ErN SmN
2023-09-02 20:13:09.203469
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129704).
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 agm006129704
data_agm006129704
_cell_length_a 5.98390
_cell_length_b 5.98544
_cell_length_c 5.98600
_cell_angle_alpha 60.00310
_cell_angle_beta 80.41004
_cell_angle_gamma 70.53547
_cell_volume 175.06620
_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
N1 N 0.74679 0.08441 0.33952 1.00000
N2 N 0.25321 0.57607 0.33952 1.00000
N3 N 0.25315 0.25520 1.00000 1.00000
N4 N 0.74685 0.74480 0.00000 1.00000
N5 N 0.74679 0.42393 0.66048 1.00000
N6 N 0.25321 0.91559 0.66048 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.50000 0.16757 0.66487 1.00000
Er2 Er 0.00000 0.33344 0.33312 1.00000
Er3 Er 0.50000 0.50000 0.00000 1.00000
Er4 Er 0.00000 0.66656 0.66688 1.00000
Er5 Er 0.50000 0.83243 0.33513 1.00000
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