La3MnC4
Alexandria ALEXAlex-ID: agm002202139 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_2_spg12
La11(MnC6)3 La Mn
2018-07-01 18:20:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002202139).
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 agm002202139
data_agm002202139
_cell_length_a 3.78631
_cell_length_b 4.44703
_cell_length_c 8.57382
_cell_angle_alpha 99.08051
_cell_angle_beta 102.76978
_cell_angle_gamma 89.95516
_cell_volume 138.94212
_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
C1 C 0.59652 0.83819 0.19443 1.00000
C2 C 0.40348 0.16181 0.80557 1.00000
C3 C 0.33422 0.27725 0.66677 1.00000
C4 C 0.66578 0.72275 0.33323 1.00000
Mn1 Mn 0.50000 0.00000 0.00000 1.00000
La1 La 0.82606 0.78900 0.65001 1.00000
La2 La 0.17394 0.21100 0.34999 1.00000
La3 La 0.00000 0.50000 0.00000 1.00000
Get direct link