V4Fe(ReN4)3
Alexandria ALEXAlex-ID: agm044447806 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_416_spg1
Re2N3 FeN VN N2
2024-10-15 14:22:17.256312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044447806).
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 agm044447806
data_agm044447806
_cell_length_a 5.04134
_cell_length_b 5.07996
_cell_length_c 9.26697
_cell_angle_alpha 96.79785
_cell_angle_beta 96.21181
_cell_angle_gamma 105.41712
_cell_volume 224.74572
_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
V1 V 0.98717 0.48096 0.95130 1.00000
V2 V 0.98490 0.00414 0.49919 1.00000
V3 V 0.54232 0.04748 0.96792 1.00000
V4 V 0.50409 0.48283 0.50774 1.00000
Fe1 Fe 0.12268 0.08148 0.11767 1.00000
Re1 Re 0.44489 0.94231 0.68820 1.00000
Re2 Re 0.92716 0.41551 0.36745 1.00000
Re3 Re 0.55416 0.61792 0.11922 1.00000
N1 N 0.27613 0.22835 0.62636 1.00000
N2 N 0.09626 0.11873 0.31990 1.00000
N3 N 0.73584 0.77484 0.62694 1.00000
N4 N 0.62657 0.59661 0.32661 1.00000
N5 N 0.26268 0.76980 0.83223 1.00000
N6 N 0.84816 0.34444 0.12994 1.00000
N7 N 0.73999 0.23410 0.81895 1.00000
N8 N 0.33263 0.84997 0.13027 1.00000
N9 N 0.71013 0.20719 0.49301 1.00000
N10 N 0.80901 0.80063 0.99816 1.00000
N11 N 0.19533 0.69067 0.49357 1.00000
N12 N 0.29976 0.31205 0.98539 1.00000
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