Navigation

HEAS Data Platform · Materials Science Database

U6Co

Traditional Materials TRA

MP-ID: mp-582635 · Space group: I4/mcm (#140)

Basic Information

Formula
U6Co
MP-ID
mp-582635
Elements
2
Sites
14
Density
18.3509
g/cm³
Volume
269.13
ų
Cell a
7.6692
Å
Cell b
7.6692
Å
Cell c
7.6692
Å
α Angle
96.50
°
β Angle
96.50
°
γ Angle
140.69
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.26 7.2222 3.5 (1,-1,0)
26.05 3.4201 1.8 (2,-1,0)
27.62 3.2299 1.3 (2,-2,1)
34.77 2.5798 26.7 (1,1,-1)
35.15 2.5534 3.8 (2,-2,2)
36.17 2.4832 100.0 (1,0,-3)
37.00 2.4295 2.7 (1,1,-2)
37.35 2.4074 1.7 (3,-3,0)
39.12 2.3027 1.7 (2,0,-2)
39.46 2.2839 6.4 (3,-3,1)
40.39 2.2332 5.1 (3,-2,-2)
43.09 2.0992 1.5 (3,-1,-1)
44.97 2.0158 3.4 (2,0,-3)
45.27 2.0031 12.9 (3,-3,2)
47.89 1.8993 1.7 (3,-2,-3)
50.28 1.8148 5.2 (3,-1,-3)
51.32 1.7802 1.2 (4,-3,-2)
53.59 1.7101 2.5 (4,-2,0)
53.86 1.7023 6.2 (3,-3,3)
57.74 1.5967 7.2 (4,-3,-3)
58.32 1.5822 8.4 (3,-1,-4)
62.82 1.4793 1.6 (1,1,-5)
63.25 1.4701 20.7 (4,-1,-2)
64.51 1.4445 7.6 (5,-5,0)
Get direct link

Energy Properties

Formation Energy/atom
-0.00307
eV/atom
Energy/atom
-70.41542
eV/atom
Energy above Hull
0.0408
eV/atom
Uncorrected Energy
-10.7297
eV/atom
Volume/atom
19.22
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0548
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000200
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
U · 0.857
Element Family
N/A
Solute Fraction
0.143
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.677
Family
Binary Alloy
Matrix Element
U · 0.857

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-582635
Reference Citation

The crystal structure and related material properties of U6Co were obtained from the Materials Project database (MP-ID: mp-582635, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_U6Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66916903
_cell_length_b   7.66916903
_cell_length_c   7.66916903
_cell_angle_alpha   96.49741736
_cell_angle_beta   96.49741736
_cell_angle_gamma   140.68579398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U6Co
_chemical_formula_sum   'U12 Co2'
_cell_volume   269.13143074
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  U  U0  1  0.89520900  0.21676500  0.11197300  1.0
  U  U1  1  0.40596300  0.90596300  0.31192700  1.0
  U  U2  1  0.09403700  0.40596300  0.50000000  1.0
  U  U3  1  0.10479100  0.78323500  0.88802700  1.0
  U  U4  1  0.59403700  0.09403700  0.68807300  1.0
  U  U5  1  0.21676500  0.10479100  0.32155600  1.0
  U  U6  1  0.78323500  0.89520900  0.67844400  1.0
  U  U7  1  0.60479100  0.71676500  0.32155600  1.0
  U  U8  1  0.71676500  0.39520900  0.11197300  1.0
  U  U9  1  0.39520900  0.28323500  0.67844400  1.0
  U  U10  1  0.90596300  0.59403700  0.50000000  1.0
  U  U11  1  0.28323500  0.60479100  0.88802700  1.0
  Co  Co12  1  0.25000000  0.25000000  0.00000000  1.0
  Co  Co13  1  0.75000000  0.75000000  0.00000000  1.0
Get direct link