Tm5Pb2N
Alexandria ALEXAlex-ID: agm006010924 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_16_spg62
Tm5Pb3 Tm TmN
2023-09-03 00:43:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010924).
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 agm006010924
data_agm006010924
_cell_length_a 6.58489
_cell_length_b 8.64189
_cell_length_c 14.04359
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 799.16315
_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
Tm1 Tm 0.75000 0.72955 0.11332 1.00000
Tm2 Tm 0.25000 0.27045 0.88668 1.00000
Tm3 Tm 0.25000 0.77045 0.61332 1.00000
Tm4 Tm 0.75000 0.22955 0.38668 1.00000
Tm5 Tm 0.50740 0.63468 0.90054 1.00000
Tm6 Tm 0.49260 0.36532 0.09946 1.00000
Tm7 Tm 0.49260 0.86532 0.40054 1.00000
Tm8 Tm 0.00740 0.36532 0.09946 1.00000
Tm9 Tm 0.50740 0.13468 0.59946 1.00000
Tm10 Tm 0.99260 0.63468 0.90054 1.00000
Tm11 Tm 0.99260 0.13468 0.59946 1.00000
Tm12 Tm 0.00740 0.86532 0.40054 1.00000
Tm13 Tm 0.50000 0.00000 0.00000 1.00000
Tm14 Tm 0.50000 0.50000 0.50000 1.00000
Tm15 Tm 0.00000 0.00000 0.00000 1.00000
Tm16 Tm 0.00000 0.50000 0.50000 1.00000
Tm17 Tm 0.75000 0.93961 0.79601 1.00000
Tm18 Tm 0.25000 0.06039 0.20399 1.00000
Tm19 Tm 0.25000 0.56039 0.29601 1.00000
Tm20 Tm 0.75000 0.43961 0.70399 1.00000
Pb1 Pb 0.75000 0.56788 0.30622 1.00000
Pb2 Pb 0.25000 0.43212 0.69378 1.00000
Pb3 Pb 0.25000 0.93212 0.80622 1.00000
Pb4 Pb 0.75000 0.06788 0.19378 1.00000
Pb5 Pb 0.75000 0.78317 0.59509 1.00000
Pb6 Pb 0.25000 0.21683 0.40491 1.00000
Pb7 Pb 0.25000 0.71683 0.09509 1.00000
Pb8 Pb 0.75000 0.28317 0.90491 1.00000
N1 N 0.75000 0.81738 0.95208 1.00000
N2 N 0.25000 0.18262 0.04792 1.00000
N3 N 0.25000 0.68262 0.45208 1.00000
N4 N 0.75000 0.31738 0.54792 1.00000
