Re(MoN3)2
Alexandria ALEXAlex-ID: agm070934895 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6074_spg1
Re2N3 MoN2 N2
2024-10-16 05:56:55.551487
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070934895).
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 agm070934895
data_agm070934895
_cell_length_a 6.67189
_cell_length_b 7.74832
_cell_length_c 9.79471
_cell_angle_alpha 88.74966
_cell_angle_beta 120.22067
_cell_angle_gamma 90.07291
_cell_volume 437.39870
_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
Re1 Re 0.42223 0.67352 0.88246 1.00000
Re2 Re 0.12980 0.18447 0.74476 1.00000
Re3 Re 0.74682 0.28267 0.05688 1.00000
Re4 Re 0.48847 0.71217 0.32386 1.00000
Mo1 Mo 0.09837 0.49634 0.60663 1.00000
Mo2 Mo 0.34506 0.39467 0.99335 1.00000
Mo3 Mo 0.32457 0.97160 0.44714 1.00000
Mo4 Mo 0.50892 0.01118 0.03071 1.00000
Mo5 Mo 0.99937 0.65208 0.11718 1.00000
Mo6 Mo 0.71236 0.29146 0.43522 1.00000
Mo7 Mo 0.95745 0.60537 0.81178 1.00000
Mo8 Mo 0.57409 0.08021 0.77940 1.00000
N1 N 0.55158 0.22521 0.19356 1.00000
N2 N 0.19703 0.74489 0.34428 1.00000
N3 N 0.82325 0.78077 0.89864 1.00000
N4 N 0.24115 0.13761 0.57713 1.00000
N5 N 0.77156 0.10439 0.63957 1.00000
N6 N 0.84500 0.24985 0.90522 1.00000
N7 N 0.68835 0.77210 0.10502 1.00000
N8 N 0.77738 0.65787 0.54733 1.00000
N9 N 0.44339 0.45522 0.33175 1.00000
N10 N 0.19346 0.82816 0.87839 1.00000
N11 N 0.31755 0.69730 0.65106 1.00000
N12 N 0.91459 0.44074 0.36596 1.00000
N13 N 0.99761 0.32303 0.87083 1.00000
N14 N 0.78272 0.49007 0.59703 1.00000
N15 N 0.64041 0.05325 0.49225 1.00000
N16 N 0.63892 0.76963 0.21705 1.00000
N17 N 0.71980 0.61869 0.88469 1.00000
N18 N 0.75484 0.13256 0.22968 1.00000
N19 N 0.33306 0.28654 0.65722 1.00000
N20 N 0.19405 0.86745 0.22396 1.00000
N21 N 0.29627 0.49465 0.17614 1.00000
N22 N 0.39164 0.83763 0.62992 1.00000
N23 N 0.16021 0.98509 0.90974 1.00000
N24 N 0.90553 0.44523 0.23323 1.00000
