Tb2PmN3
Alexandria ALEXAlex-ID: agm032148687 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
PmN TbN
2024-11-08 01:19:19.239525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032148687).
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 agm032148687
data_agm032148687
_cell_length_a 11.73201
_cell_length_b 11.18763
_cell_length_c 6.12689
_cell_angle_alpha 79.46642
_cell_angle_beta 69.64058
_cell_angle_gamma 30.89300
_cell_volume 375.74326
_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 0.99938 0.99938 0.50062 1.00000
Tb2 Tb 0.41718 0.41718 0.58282 1.00000
Tb3 Tb 0.83282 0.83282 0.66718 1.00000
Tb4 Tb 0.25062 0.25062 0.74938 1.00000
Tb5 Tb 0.74938 0.74938 0.25062 1.00000
Tb6 Tb 0.66718 0.66718 0.83282 1.00000
Tb7 Tb 0.58282 0.58282 0.41718 1.00000
Tb8 Tb 0.50062 0.50062 0.99938 1.00000
Pm1 Pm 0.91651 0.91651 0.08349 1.00000
Pm2 Pm 0.33349 0.33349 0.16651 1.00000
Pm3 Pm 0.16651 0.16651 0.33349 1.00000
Pm4 Pm 0.08349 0.08349 0.91651 1.00000
N1 N 0.66801 0.16764 0.82683 1.00000
N2 N 0.16764 0.66801 0.33752 1.00000
N3 N 0.58199 0.08236 0.42317 1.00000
N4 N 0.08236 0.58199 0.91248 1.00000
N5 N 0.50536 0.99464 0.99464 1.00000
N6 N 0.99464 0.50536 0.50536 1.00000
N7 N 0.91248 0.42317 0.08236 1.00000
N8 N 0.42317 0.91248 0.58199 1.00000
N9 N 0.33752 0.82683 0.16764 1.00000
N10 N 0.82683 0.33752 0.66801 1.00000
N11 N 0.74464 0.25536 0.25536 1.00000
N12 N 0.25536 0.74464 0.74464 1.00000
