Tb4CeSm3N8
Alexandria ALEXAlex-ID: agm044115191 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
CeSm5N6 Tb5CeN6 TbN
2024-08-25 00:05:27.352603
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044115191).
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 agm044115191
data_agm044115191
_cell_length_a 7.07449
_cell_length_b 7.07449
_cell_length_c 7.07449
_cell_angle_alpha 59.99534
_cell_angle_beta 59.99534
_cell_angle_gamma 59.99534
_cell_volume 250.33673
_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
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Tb2 Tb 0.00000 0.50000 0.00000 1.00000
Tb3 Tb 0.50000 0.00000 0.00000 1.00000
Tb4 Tb 0.00000 0.00000 0.50000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.00000 0.50000 0.50000 1.00000
Sm2 Sm 0.50000 0.50000 0.00000 1.00000
Sm3 Sm 0.50000 0.00000 0.50000 1.00000
N1 N 0.75220 0.75220 0.24372 1.00000
N2 N 0.24372 0.75220 0.75220 1.00000
N3 N 0.75197 0.75197 0.75197 1.00000
N4 N 0.75220 0.24372 0.75220 1.00000
N5 N 0.24780 0.75628 0.24780 1.00000
N6 N 0.24803 0.24803 0.24803 1.00000
N7 N 0.75628 0.24780 0.24780 1.00000
N8 N 0.24780 0.24780 0.75628 1.00000
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