La2Al19Co6
Alexandria ALEXAlex-ID: agm007936498 · Space group: C2/m (#12)
Basic Information
Formula
La2Al19Co6
Alex-ID
agm007936498
Elements
3
Sites
54
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
858.46
ų
Cell a
10.7270
Å
Cell b
10.7270
Å
Cell c
8.2428
Å
α angle
78.41
°
β angle
78.41
°
γ angle
68.94
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
La2Al19Co6
La
4.00 · 7.4%
Al
38.00 · 70.4%
Co
12.00 · 22.2%
Energy & Stability
Energy above hull
0.0000
eV/atom
Formation energy
-0.4829
eV/atom
Corrected total energy
-273.6032
eV
Raw total energy
-273.6031
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0159
eV
DOS at Fermi level
19.8957
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A2B6C19_2_spg12
Decomposition
La2Al19Co6
Computed at
2024-08-25 00:18:24.307419
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007936498).
Reference
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
BibTeX
@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
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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm007936498
data_agm007936498
_cell_length_a 10.72696
_cell_length_b 10.72696
_cell_length_c 8.24277
_cell_angle_alpha 78.41072
_cell_angle_beta 78.41072
_cell_angle_gamma 68.94350
_cell_volume 858.45998
_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 0.27884 0.27884 0.74640 1.00000
La2 La 0.72116 0.72116 0.25360 1.00000
La3 La 0.28002 0.28002 0.22598 1.00000
La4 La 0.71998 0.71998 0.77402 1.00000
Al1 Al 0.85054 0.20087 0.63856 1.00000
Al2 Al 0.18866 0.54260 0.94224 1.00000
Al3 Al 0.56592 0.33081 0.15540 1.00000
Al4 Al 0.48021 0.81536 0.55176 1.00000
Al5 Al 0.50286 0.00146 0.76892 1.00000
Al6 Al 0.99854 0.49714 0.23108 1.00000
Al7 Al 0.83040 0.16960 0.00000 1.00000
Al8 Al 0.91389 0.91389 0.18678 1.00000
Al9 Al 0.08611 0.08611 0.81322 1.00000
Al10 Al 0.92052 0.92052 0.63541 1.00000
Al11 Al 0.33081 0.56592 0.15540 1.00000
Al12 Al 0.45740 0.81134 0.05776 1.00000
Al13 Al 0.07948 0.07948 0.36459 1.00000
Al14 Al 0.16960 0.83040 0.00000 1.00000
Al15 Al 0.66919 0.43408 0.84460 1.00000
Al16 Al 0.93685 0.70185 0.46464 1.00000
Al17 Al 0.29815 0.06315 0.53536 1.00000
Al18 Al 0.14946 0.79913 0.36144 1.00000
Al19 Al 0.04560 0.26852 0.05310 1.00000
Al20 Al 0.73148 0.95440 0.94690 1.00000
Al21 Al 0.54260 0.18866 0.94224 1.00000
Al22 Al 0.20087 0.85054 0.63856 1.00000
Al23 Al 0.06315 0.29815 0.53536 1.00000
Al24 Al 0.56224 0.33018 0.64678 1.00000
Al25 Al 0.26852 0.04560 0.05310 1.00000
Al26 Al 0.51979 0.18464 0.44824 1.00000
Al27 Al 0.70185 0.93685 0.46464 1.00000
Al28 Al 0.33018 0.56224 0.64678 1.00000
Al29 Al 0.43408 0.66919 0.84460 1.00000
Al30 Al 0.43776 0.66982 0.35322 1.00000
Al31 Al 0.95440 0.73148 0.94690 1.00000
Al32 Al 0.79913 0.14946 0.36144 1.00000
Al33 Al 0.81134 0.45740 0.05776 1.00000
Al34 Al 0.18464 0.51979 0.44824 1.00000
Al35 Al 0.81536 0.48021 0.55176 1.00000
Al36 Al 0.00146 0.50286 0.76892 1.00000
Al37 Al 0.66982 0.43776 0.35322 1.00000
Al38 Al 0.49714 0.99854 0.23108 1.00000
Co1 Co 0.91963 0.32034 0.81179 1.00000
Co2 Co 0.68507 0.08428 0.66845 1.00000
Co3 Co 0.56143 0.56143 0.09412 1.00000
Co4 Co 0.32034 0.91963 0.81179 1.00000
Co5 Co 0.91572 0.31493 0.33155 1.00000
Co6 Co 0.43857 0.43857 0.90588 1.00000
Co7 Co 0.43873 0.43873 0.40500 1.00000
Co8 Co 0.31493 0.91572 0.33155 1.00000
Co9 Co 0.08037 0.67966 0.18821 1.00000
Co10 Co 0.08428 0.68507 0.66845 1.00000
Co11 Co 0.56127 0.56127 0.59500 1.00000
Co12 Co 0.67966 0.08037 0.18821 1.00000
