TbY2TmN4
Alexandria ALEXAlex-ID: agm020656432 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_433_spg74
TbY4N5 Tb4YN5 TmN
2025-02-07 11:40:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020656432).
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 agm020656432
data_agm020656432
_cell_length_a 6.93090
_cell_length_b 6.93090
_cell_length_c 6.93090
_cell_angle_alpha 120.00186
_cell_angle_beta 119.99939
_cell_angle_gamma 89.99892
_cell_volume 235.42382
_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 0.00000 0.00000 0.00000 1.00000
Tb2 Tb 0.50000 0.00000 0.50000 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.00000 0.50000 0.50000 1.00000
Y3 Y 0.00000 0.50000 0.00000 1.00000
Y4 Y 0.00000 0.00000 0.50000 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Tm2 Tm 0.50000 0.50000 0.50000 1.00000
N1 N 0.25174 0.25217 0.50042 1.00000
N2 N 0.25174 0.75132 0.99958 1.00000
N3 N 0.74826 0.24868 0.00042 1.00000
N4 N 0.74826 0.74783 0.49958 1.00000
N5 N 0.25357 0.25021 0.00336 1.00000
N6 N 0.74685 0.25021 0.49664 1.00000
N7 N 0.25315 0.74979 0.50336 1.00000
N8 N 0.74643 0.74979 0.99664 1.00000
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