Sr2UTcN5
Alexandria ALEXAlex-ID: agm005164053 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
SrTcN2 SrN6 Sr3U3N8 UN2
2023-01-16 23:29:09.479933
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164053).
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 agm005164053
data_agm005164053
_cell_length_a 3.52711
_cell_length_b 7.12510
_cell_length_c 11.24581
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.33039
_cell_volume 273.82455
_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
Sr1 Sr 0.85380 0.70761 0.81107 1.00000
Sr2 Sr 0.10439 0.20877 0.67722 1.00000
Sr3 Sr 0.14620 0.29239 0.31107 1.00000
Sr4 Sr 0.89561 0.79123 0.17722 1.00000
U1 U 0.79246 0.58492 0.51818 1.00000
U2 U 0.20754 0.41508 0.01818 1.00000
Tc1 Tc 0.52003 0.04005 0.95136 1.00000
Tc2 Tc 0.47997 0.95995 0.45136 1.00000
N1 N 0.36365 0.72730 0.99837 1.00000
N2 N 0.68255 0.36509 0.90506 1.00000
N3 N 0.49408 0.98817 0.79838 1.00000
N4 N 0.28638 0.57275 0.63726 1.00000
N5 N 0.96037 0.92075 0.52707 1.00000
N6 N 0.63635 0.27270 0.49837 1.00000
N7 N 0.31745 0.63491 0.40506 1.00000
N8 N 0.50592 0.01183 0.29838 1.00000
N9 N 0.71362 0.42725 0.13726 1.00000
N10 N 0.03963 0.07925 0.02707 1.00000
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