Ac(MnC)3
Alexandria ALEXAlex-ID: agm005960342 · Space group: P6_3/m (#176)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_525_spg176
Ac(MnC)2 AcC6 Mn23C6
2023-08-04 18:37:00.027694
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005960342).
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 agm005960342
data_agm005960342
_cell_length_a 3.69426
_cell_length_b 7.69110
_cell_length_c 7.69110
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 189.24977
_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
Ac1 Ac 0.75000 0.66667 0.33333 1.00000
Ac2 Ac 0.25000 0.33333 0.66667 1.00000
Mn1 Mn 0.75000 0.02278 0.79133 1.00000
Mn2 Mn 0.75000 0.20867 0.23145 1.00000
Mn3 Mn 0.75000 0.76855 0.97722 1.00000
Mn4 Mn 0.25000 0.97722 0.20867 1.00000
Mn5 Mn 0.25000 0.79133 0.76855 1.00000
Mn6 Mn 0.25000 0.23145 0.02278 1.00000
C1 C 0.75000 0.71481 0.71381 1.00000
C2 C 0.75000 0.28619 0.00101 1.00000
C3 C 0.75000 0.99899 0.28519 1.00000
C4 C 0.25000 0.28519 0.28619 1.00000
C5 C 0.25000 0.71381 0.99899 1.00000
C6 C 0.25000 0.00101 0.71481 1.00000
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