Th4Pb3N2
Alexandria ALEXAlex-ID: agm005644064 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_904_spg12
Th3(PbN)2 ThPb2 Th5Pb4
2023-06-27 19:02:13.120752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644064).
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 agm005644064
data_agm005644064
_cell_length_a 4.15888
_cell_length_b 7.62815
_cell_length_c 8.67690
_cell_angle_alpha 72.57010
_cell_angle_beta 76.13397
_cell_angle_gamma 74.18092
_cell_volume 248.91402
_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
Th1 Th 0.30761 0.25276 0.13202 1.00000
Th2 Th 0.69239 0.74724 0.86798 1.00000
Th3 Th 0.12510 0.15440 0.59541 1.00000
Th4 Th 0.87490 0.84560 0.40459 1.00000
Pb1 Pb 0.40390 0.50217 0.69003 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
Pb3 Pb 0.59610 0.49783 0.30997 1.00000
N1 N 0.30450 0.02334 0.36767 1.00000
N2 N 0.69550 0.97666 0.63233 1.00000
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