Tb2Tm3N4
Alexandria ALEXAlex-ID: agm005690695 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Tb6N5 Tb TmN
2023-06-27 19:20:26.950965
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690695).
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 agm005690695
data_agm005690695
_cell_length_a 3.44331
_cell_length_b 5.97785
_cell_length_c 7.76433
_cell_angle_alpha 75.10883
_cell_angle_beta 77.18882
_cell_angle_gamma 73.26142
_cell_volume 146.00977
_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 0.60428 0.18041 0.61103 1.00000
Tb2 Tb 0.39572 0.81959 0.38897 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Tm2 Tm 0.20616 0.40050 0.18718 1.00000
Tm3 Tm 0.79384 0.59950 0.81282 1.00000
N1 N 0.80090 0.10100 0.29719 1.00000
N2 N 0.19910 0.89900 0.70281 1.00000
N3 N 0.39652 0.30230 0.90467 1.00000
N4 N 0.60348 0.69770 0.09533 1.00000
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