RbC2N3
Alexandria ALEXAlex-ID: agm005242856 · Space group: Pbcm (#57)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_624_spg57
RbC2N3
2022-12-12 21:14:41.275085
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242856).
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 agm005242856
data_agm005242856
_cell_length_a 6.81365
_cell_length_b 7.90811
_cell_length_c 8.66604
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 466.95275
_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
Rb1 Rb 0.75000 0.00000 0.18418 1.00000
Rb2 Rb 0.25000 0.00000 0.81582 1.00000
Rb3 Rb 0.25000 0.50000 0.81582 1.00000
Rb4 Rb 0.75000 0.50000 0.18418 1.00000
C1 C 0.84722 0.25000 0.56569 1.00000
C2 C 0.26880 0.75000 0.18345 1.00000
C3 C 0.73120 0.25000 0.81655 1.00000
C4 C 0.23120 0.25000 0.18345 1.00000
C5 C 0.34722 0.25000 0.43431 1.00000
C6 C 0.76880 0.75000 0.81655 1.00000
C7 C 0.15278 0.75000 0.43431 1.00000
C8 C 0.65278 0.75000 0.56569 1.00000
N1 N 0.84557 0.25000 0.42948 1.00000
N2 N 0.87117 0.25000 0.71507 1.00000
N3 N 0.12883 0.75000 0.28493 1.00000
N4 N 0.15443 0.75000 0.57052 1.00000
N5 N 0.37117 0.25000 0.28493 1.00000
N6 N 0.61837 0.25000 0.92091 1.00000
N7 N 0.65443 0.75000 0.42948 1.00000
N8 N 0.88163 0.75000 0.92091 1.00000
N9 N 0.62883 0.75000 0.71507 1.00000
N10 N 0.34557 0.25000 0.57052 1.00000
N11 N 0.38163 0.75000 0.07909 1.00000
N12 N 0.11837 0.25000 0.07909 1.00000
