AcLa3C8
Alexandria ALEXAlex-ID: agm005962844 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_135_spg121
LaC2 AcC2
2023-09-14 15:42:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962844).
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 agm005962844
data_agm005962844
_cell_length_a 6.65487
_cell_length_b 6.64879
_cell_length_c 6.65540
_cell_angle_alpha 67.57275
_cell_angle_beta 76.24579
_cell_angle_gamma 112.42420
_cell_volume 224.88868
_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 0.00020 0.00000 0.99967 1.00000
La1 La 0.75099 0.50001 0.74905 1.00000
La2 La 0.25098 0.49999 0.24906 1.00000
La3 La 0.49999 0.00000 0.50006 1.00000
C1 C 0.07517 0.00000 0.58260 1.00000
C2 C 0.58235 0.65793 0.41770 1.00000
C3 C 0.92442 0.34207 0.07563 1.00000
C4 C 0.41730 0.00000 0.92495 1.00000
C5 C 0.87978 0.00000 0.58637 1.00000
C6 C 0.58551 0.46570 0.41453 1.00000
C7 C 0.11981 0.53430 0.88023 1.00000
C8 C 0.41368 0.00000 0.12029 1.00000
Get direct link