HfCo
Traditional Materials TRAMP-ID: mp-1064981 · Space group: Cmcm (#63)
Basic Information
Formula
HfCo
MP-ID
mp-1064981
Elements
2
Sites
4
Density
12.6803
g/cm³
Volume
62.18
ų
Cell a
3.1660
Å
Cell b
4.1800
Å
Cell c
4.9583
Å
α Angle
90.00
°
β Angle
108.62
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 28.58 | 3.1231 | 47.8 | (0,1,1) |
| 29.78 | 3.0003 | 5.1 | (1,0,-1) |
| 29.78 | 3.0003 | 5.1 | (1,0,0) |
| 36.88 | 2.4374 | 100.0 | (1,1,-1) |
| 38.31 | 2.3494 | 30.8 | (0,0,2) |
| 40.51 | 2.2268 | 32.3 | (1,0,-2) |
| 43.29 | 2.0900 | 32.2 | (0,2,0) |
| 44.22 | 2.0481 | 15.1 | (0,1,2) |
| 46.19 | 1.9653 | 19.7 | (1,1,-2) |
| 46.19 | 1.9653 | 19.7 | (1,1,1) |
| 53.43 | 1.7149 | 4.5 | (1,2,-1) |
| 58.29 | 1.5830 | 13.2 | (2,0,-1) |
| 59.17 | 1.5615 | 17.2 | (0,2,2) |
| 60.78 | 1.5239 | 19.9 | (1,2,-2) |
| 61.52 | 1.5074 | 8.1 | (1,1,-3) |
| 61.52 | 1.5074 | 8.1 | (1,1,2) |
| 63.42 | 1.4667 | 7.6 | (0,1,3) |
| 66.18 | 1.4120 | 9.8 | (2,1,-2) |
| 70.49 | 1.3358 | 4.1 | (0,3,1) |
| 71.92 | 1.3128 | 4.8 | (2,0,-3) |
| 71.92 | 1.3128 | 4.8 | (2,0,1) |
| 75.19 | 1.2637 | 12.3 | (1,3,-1) |
| 75.31 | 1.2619 | 12.2 | (2,2,-1) |
| 75.98 | 1.2525 | 2.9 | (2,1,-3) |
Energy Properties
Formation Energy/atom
-0.28252
eV/atom
Energy/atom
-29.47534
eV/atom
Energy above Hull
0.1519
eV/atom
Uncorrected Energy
-29.4753
eV/atom
Volume/atom
15.55
ų
c/a Ratio
1.5661
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.6097
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.009810
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Hf · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.523
Family
Binary Alloy
Matrix Element
Hf · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1064981
Reference Citation
The crystal structure and related material properties of HfCo were obtained from the Materials Project database (MP-ID: mp-1064981, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_HfCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16600414
_cell_length_b 4.17999741
_cell_length_c 4.95828366
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.61843393
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfCo
_chemical_formula_sum 'Hf2 Co2'
_cell_volume 62.18333937
_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
Hf Hf0 1 0.85948194 0.75000000 0.71896488 1.0
Hf Hf1 1 0.14051806 0.25000000 0.28103512 1.0
Co Co2 1 0.58482804 0.75000000 0.16965607 1.0
Co Co3 1 0.41517196 0.25000000 0.83034393 1.0
