TaRe(GeN2)3
Alexandria ALEXAlex-ID: agm071079934 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6_57_spg198
Re3N Ta3N5 Ge3N4
2024-10-15 12:46:53.660362
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071079934).
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 agm071079934
data_agm071079934
_cell_length_a 8.71537
_cell_length_b 8.71537
_cell_length_c 8.71537
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 662.00035
_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
Ta1 Ta 0.62500 0.62500 0.62500 1.00000
Ta2 Ta 0.87500 0.37500 0.12500 1.00000
Ta3 Ta 0.37500 0.12500 0.87500 1.00000
Ta4 Ta 0.12500 0.87500 0.37500 1.00000
Re1 Re 0.12500 0.12500 0.12500 1.00000
Re2 Re 0.37500 0.87500 0.62500 1.00000
Re3 Re 0.87500 0.62500 0.37500 1.00000
Re4 Re 0.62500 0.37500 0.87500 1.00000
Ge1 Ge 0.12500 0.37277 0.87723 1.00000
Ge2 Ge 0.37500 0.62723 0.37723 1.00000
Ge3 Ge 0.87500 0.87277 0.62277 1.00000
Ge4 Ge 0.62500 0.12723 0.12277 1.00000
Ge5 Ge 0.87723 0.12500 0.37277 1.00000
Ge6 Ge 0.37723 0.37500 0.62723 1.00000
Ge7 Ge 0.62277 0.87500 0.87277 1.00000
Ge8 Ge 0.12277 0.62500 0.12723 1.00000
Ge9 Ge 0.37277 0.87723 0.12500 1.00000
Ge10 Ge 0.62723 0.37723 0.37500 1.00000
Ge11 Ge 0.87277 0.62277 0.87500 1.00000
Ge12 Ge 0.12723 0.12277 0.62500 1.00000
N1 N 0.35627 0.10900 0.63532 1.00000
N2 N 0.14373 0.89100 0.13532 1.00000
N3 N 0.64373 0.60900 0.86468 1.00000
N4 N 0.85627 0.39100 0.36468 1.00000
N5 N 0.63532 0.35627 0.10900 1.00000
N6 N 0.13532 0.14373 0.89100 1.00000
N7 N 0.86468 0.64373 0.60900 1.00000
N8 N 0.36468 0.85627 0.39100 1.00000
N9 N 0.10900 0.63532 0.35627 1.00000
N10 N 0.89100 0.13532 0.14373 1.00000
N11 N 0.60900 0.86468 0.64373 1.00000
N12 N 0.39100 0.36468 0.85627 1.00000
N13 N 0.35900 0.10627 0.11468 1.00000
N14 N 0.14100 0.89373 0.61468 1.00000
N15 N 0.85900 0.39373 0.88532 1.00000
N16 N 0.64100 0.60627 0.38532 1.00000
N17 N 0.60627 0.38532 0.64100 1.00000
N18 N 0.39373 0.88532 0.85900 1.00000
N19 N 0.89373 0.61468 0.14100 1.00000
N20 N 0.10627 0.11468 0.35900 1.00000
N21 N 0.88532 0.85900 0.39373 1.00000
N22 N 0.38532 0.64100 0.60627 1.00000
N23 N 0.11468 0.35900 0.10627 1.00000
N24 N 0.61468 0.14100 0.89373 1.00000
