La2C2I
Alexandria ALEXAlex-ID: agm002201896 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_127_spg15
La2C2I
2018-07-09 14:59:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201896).
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 agm002201896
data_agm002201896
_cell_length_a 4.35658
_cell_length_b 7.01916
_cell_length_c 8.32849
_cell_angle_alpha 99.60998
_cell_angle_beta 105.16103
_cell_angle_gamma 90.00016
_cell_volume 242.11274
_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
I1 I 0.78933 0.25000 1.00000 1.00000
I2 I 0.21067 0.74999 0.00000 1.00000
C1 C 0.35764 0.52608 0.45370 1.00000
C2 C 0.90393 0.97391 0.54631 1.00000
C3 C 0.64236 0.47391 0.54630 1.00000
C4 C 0.09607 0.02608 0.45369 1.00000
La1 La 0.53690 0.84692 0.67895 1.00000
La2 La 0.14203 0.34692 0.67895 1.00000
La3 La 0.46310 0.15307 0.32105 1.00000
La4 La 0.85797 0.65307 0.32105 1.00000
Get direct link