Navigation

HEAS Data Platform · Materials Science Database

Hf2Co7

Traditional Materials TRA

MP-ID: mp-1079776 · Space group: C2/m (#12)

Basic Information

Formula
Hf2Co7
MP-ID
mp-1079776
Elements
2
Sites
9
Density
11.0426
g/cm³
Volume
115.72
ų
Cell a
4.6688
Å
Cell b
4.7331
Å
Cell c
6.2633
Å
α Angle
82.17
°
β Angle
73.96
°
γ Angle
60.45
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
21.58 4.1174 23.2 (0,1,0)
22.57 3.9401 29.0 (1,1,0)
23.80 3.7384 5.8 (1,1,1)
23.80 3.7384 5.8 (1,0,1)
26.22 3.3985 1.1 (0,1,1)
29.68 3.0098 26.2 (0,0,2)
29.97 2.9818 27.3 (1,1,-1)
32.77 2.7329 50.1 (1,1,2)
37.00 2.4298 31.0 (0,1,2)
37.00 2.4298 31.0 (0,1,-2)
38.44 2.3416 69.6 (1,2,0)
38.77 2.3228 45.1 (2,1,1)
39.22 2.2970 5.0 (1,2,1)
39.22 2.2970 5.0 (1,-1,1)
41.96 2.1531 39.1 (1,1,-2)
43.12 2.0978 35.2 (2,1,2)
43.44 2.0831 45.2 (1,2,-1)
43.44 2.0831 45.2 (1,-1,-1)
43.98 2.0587 26.5 (0,2,0)
44.80 2.0230 45.8 (2,2,1)
45.19 2.0065 40.2 (0,0,3)
45.48 1.9943 18.9 (1,1,3)
45.52 1.9926 100.0 (1,2,2)
46.07 1.9701 21.6 (2,2,0)
Get direct link

Energy Properties

Formation Energy/atom
-0.22268
eV/atom
Energy/atom
-20.54961
eV/atom
Energy above Hull
0.0080
eV/atom
Uncorrected Energy
-7.9964
eV/atom
Volume/atom
12.86
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
7.5630
μB
Mag. Ordering
FiM
Mag. Sites
9
Magnetization/Volume
0.065360
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.778
Element Family
N/A
Solute Fraction
0.222
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.882
Family
Co-based Alloy
Matrix Element
Co · 0.778

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1079776
Reference Citation

The crystal structure and related material properties of Hf2Co7 were obtained from the Materials Project database (MP-ID: mp-1079776, 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_Hf2Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66883152
_cell_length_b   4.73313038
_cell_length_c   6.26332539
_cell_angle_alpha   82.16818733
_cell_angle_beta   73.96142306
_cell_angle_gamma   60.44836794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Co7
_chemical_formula_sum   'Hf2 Co7'
_cell_volume   115.71627575
_cell_formula_units_Z   1
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
  Hf  Hf0  1  0.10035000  0.00000000  0.23185800  1.0
  Hf  Hf1  1  0.89965000  0.00000000  0.76814200  1.0
  Co  Co2  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co3  1  0.00000000  0.50000000  0.50000000  1.0
  Co  Co4  1  0.54490000  0.66394700  0.84506400  1.0
  Co  Co5  1  0.20884700  0.33605300  0.84506400  1.0
  Co  Co6  1  0.45510000  0.33605300  0.15493600  1.0
  Co  Co7  1  0.79115300  0.66394700  0.15493600  1.0
  Co  Co8  1  0.50000000  0.00000000  0.50000000  1.0
Get direct link