Mo3C2
Alexandria ALEXAlex-ID: agm005276285 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_959_spg164
Mo2C C
2023-04-21 04:44:16.229866
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005276285).
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 agm005276285
data_agm005276285
_cell_length_a 3.06840
_cell_length_b 3.06840
_cell_length_c 14.55662
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 118.69036
_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
Mo1 Mo 0.00000 0.00000 0.24626 1.00000
Mo2 Mo 0.00000 0.00000 0.75374 1.00000
Mo3 Mo 0.33333 0.66667 0.40732 1.00000
Mo4 Mo 0.66667 0.33333 0.59268 1.00000
Mo5 Mo 0.66667 0.33333 0.91715 1.00000
Mo6 Mo 0.33333 0.66667 0.08285 1.00000
C1 C 0.66667 0.33333 0.31932 1.00000
C2 C 0.33333 0.66667 0.68068 1.00000
C3 C 0.00000 0.00000 0.50000 1.00000
C4 C 0.00000 0.00000 0.00000 1.00000
Get direct link