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HEAS Data Platform · Materials Science Database

U6Co30Si19

Alexandria ALEX

Alex-ID: agm009586382 · Space group: P-6 (#174)

Alexandria Database API

Basic Information

Formula
U6Co30Si19
Alex-ID
agm009586382
Elements
3
Sites
55
Space group
P-6 (#174)
Crystal system
hexagonal
Volume
693.94
ų
Cell a
14.8313
Å
Cell b
14.8313
Å
Cell c
3.6428
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
U6Co30Si19
U
6.00 · 10.9%
Co
30.00 · 54.5%
Si
19.00 · 34.5%

Energy & Stability

Energy above hull
0.0035
eV/atom
Formation energy
-0.5444
eV/atom
Corrected total energy
-414.4232
eV
Raw total energy
-414.4231
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
55.9862
Total magnetisation
8.5071
μB

Additional Information

Prototype ID

A6B19C30_0_spg143

Decomposition

U2Co3Si U(Co3Si2)2 U2(Co3Si)3

Computed at

2024-10-02 06:50:14.396641

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: agm009586382).

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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm009586382
data_agm009586382
_cell_length_a     14.83132
_cell_length_b     14.83132
_cell_length_c     3.64275
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       693.93646
_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
  U1 U 0.05963 0.62609 0.00000 1.00000
  U2 U 0.56646 0.94037 0.00000 1.00000
  U3 U 0.37391 0.43354 0.00000 1.00000
  U4 U 0.27556 0.04123 0.50000 1.00000
  U5 U 0.76567 0.72444 0.50000 1.00000
  U6 U 0.95877 0.23433 0.50000 1.00000
  Co1 Co 0.92990 0.74847 0.00000 1.00000
  Co2 Co 0.81857 0.07010 0.00000 1.00000
  Co3 Co 0.25153 0.18143 0.00000 1.00000
  Co4 Co 0.39953 0.91521 0.50000 1.00000
  Co5 Co 0.51567 0.60047 0.50000 1.00000
  Co6 Co 0.08479 0.48433 0.50000 1.00000
  Co7 Co 0.12812 0.87116 0.00000 1.00000
  Co8 Co 0.74304 0.87188 0.00000 1.00000
  Co9 Co 0.12884 0.25696 0.00000 1.00000
  Co10 Co 0.20103 0.79256 0.50000 1.00000
  Co11 Co 0.59153 0.79897 0.50000 1.00000
  Co12 Co 0.20744 0.40847 0.50000 1.00000
  Co13 Co 0.94022 0.37015 0.00000 1.00000
  Co14 Co 0.42993 0.05978 0.00000 1.00000
  Co15 Co 0.62985 0.57007 0.00000 1.00000
  Co16 Co 0.39694 0.29287 0.50000 1.00000
  Co17 Co 0.89593 0.60306 0.50000 1.00000
  Co18 Co 0.70713 0.10407 0.50000 1.00000
  Co19 Co 0.83151 0.45917 0.00000 1.00000
  Co20 Co 0.62767 0.16849 0.00000 1.00000
  Co21 Co 0.54083 0.37233 0.00000 1.00000
  Co22 Co 0.54044 0.23791 0.50000 1.00000
  Co23 Co 0.69747 0.45956 0.50000 1.00000
  Co24 Co 0.76209 0.30253 0.50000 1.00000
  Co25 Co 0.24149 0.55840 0.00000 1.00000
  Co26 Co 0.31691 0.75851 0.00000 1.00000
  Co27 Co 0.44160 0.68309 0.00000 1.00000
  Co28 Co 0.09327 0.10770 0.50000 1.00000
  Co29 Co 0.01442 0.90673 0.50000 1.00000
  Co30 Co 0.89230 0.98558 0.50000 1.00000
  Si1 Si 0.78894 0.58235 0.00000 1.00000
  Si2 Si 0.79341 0.21106 0.00000 1.00000
  Si3 Si 0.41765 0.20659 0.00000 1.00000
  Si4 Si 0.53734 0.08021 0.50000 1.00000
  Si5 Si 0.54288 0.46266 0.50000 1.00000
  Si6 Si 0.91979 0.45712 0.50000 1.00000
  Si7 Si 0.90607 0.89084 0.00000 1.00000
  Si8 Si 0.98477 0.09393 0.00000 1.00000
  Si9 Si 0.10916 0.01523 0.00000 1.00000
  Si10 Si 0.42634 0.77574 0.50000 1.00000
  Si11 Si 0.34940 0.57366 0.50000 1.00000
  Si12 Si 0.22426 0.65060 0.50000 1.00000
  Si13 Si 0.29157 0.89554 0.00000 1.00000
  Si14 Si 0.60398 0.70843 0.00000 1.00000
  Si15 Si 0.10446 0.39602 0.00000 1.00000
  Si16 Si 0.03651 0.76758 0.50000 1.00000
  Si17 Si 0.73107 0.96349 0.50000 1.00000
  Si18 Si 0.23242 0.26893 0.50000 1.00000
  Si19 Si 0.66667 0.33333 0.00000 1.00000
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