La10Cr13C18
Alexandria ALEXAlex-ID: agm007828639 · Space group: I-43m (#217)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A10B13C18_0_spg217
Cr3C2 La2Cr2C3 LaC2
2024-06-29 02:56:47.983750
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007828639).
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 agm007828639
data_agm007828639
_cell_length_a 9.19856
_cell_length_b 9.19856
_cell_length_c 9.19856
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 599.15378
_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
La1 La 0.25000 0.50000 0.75000 1.00000
La2 La 0.25000 0.75000 0.50000 1.00000
La3 La 0.50000 0.25000 0.75000 1.00000
La4 La 0.75000 0.25000 0.50000 1.00000
La5 La 0.75000 0.50000 0.25000 1.00000
La6 La 0.50000 0.75000 0.25000 1.00000
La7 La 0.00000 0.40836 0.00000 1.00000
La8 La 0.00000 0.00000 0.40836 1.00000
La9 La 0.40836 0.00000 0.00000 1.00000
La10 La 0.59164 0.59164 0.59164 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Cr2 Cr 0.00000 0.66564 0.81676 1.00000
Cr3 Cr 0.18324 0.84888 0.18324 1.00000
Cr4 Cr 0.81676 0.66564 0.00000 1.00000
Cr5 Cr 0.00000 0.81676 0.66564 1.00000
Cr6 Cr 0.81676 0.00000 0.66564 1.00000
Cr7 Cr 0.18324 0.18324 0.84888 1.00000
Cr8 Cr 0.84888 0.18324 0.18324 1.00000
Cr9 Cr 0.66564 0.00000 0.81676 1.00000
Cr10 Cr 0.66564 0.81676 0.00000 1.00000
Cr11 Cr 0.15112 0.33436 0.33436 1.00000
Cr12 Cr 0.33436 0.15112 0.33436 1.00000
Cr13 Cr 0.33436 0.33436 0.15112 1.00000
C1 C 0.00000 0.71194 0.21000 1.00000
C2 C 0.79000 0.50194 0.79000 1.00000
C3 C 0.21000 0.71194 0.00000 1.00000
C4 C 0.00000 0.21000 0.71194 1.00000
C5 C 0.21000 0.00000 0.71194 1.00000
C6 C 0.79000 0.79000 0.50194 1.00000
C7 C 0.50194 0.79000 0.79000 1.00000
C8 C 0.71194 0.00000 0.21000 1.00000
C9 C 0.71194 0.21000 0.00000 1.00000
C10 C 0.49806 0.28806 0.28806 1.00000
C11 C 0.28806 0.49806 0.28806 1.00000
C12 C 0.28806 0.28806 0.49806 1.00000
C13 C 0.00000 0.56745 0.56745 1.00000
C14 C 0.43255 0.00000 0.43255 1.00000
C15 C 0.56745 0.56745 0.00000 1.00000
C16 C 0.56745 0.00000 0.56745 1.00000
C17 C 0.43255 0.43255 0.00000 1.00000
C18 C 0.00000 0.43255 0.43255 1.00000
