Th4As3N2
Alexandria ALEXAlex-ID: agm005643938 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_33_spg2
Th3(AsN)2 ThAs
2023-06-27 18:20:33.932273
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643938).
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 agm005643938
data_agm005643938
_cell_length_a 4.09416
_cell_length_b 6.97556
_cell_length_c 8.13136
_cell_angle_alpha 74.84880
_cell_angle_beta 75.41883
_cell_angle_gamma 72.93448
_cell_volume 210.39132
_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 0.31285 0.25760 0.11670 1.00000
Th2 Th 0.68715 0.74240 0.88330 1.00000
Th3 Th 0.10755 0.18348 0.60141 1.00000
Th4 Th 0.89245 0.81652 0.39859 1.00000
As1 As 0.38553 0.51252 0.71642 1.00000
As2 As 0.00000 0.00000 0.00000 1.00000
As3 As 0.61447 0.48748 0.28358 1.00000
N1 N 0.31117 0.01253 0.36513 1.00000
N2 N 0.68883 0.98747 0.63487 1.00000
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