Basic Information
Formula
TmHfCo2
MP-ID
mp-982739
Elements
3
Sites
4
Density
11.5425
g/cm³
Volume
66.94
ų
Cell a
4.5575
Å
Cell b
4.5575
Å
Cell c
4.5575
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 16)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 27.68 | 3.2227 | 13.9 | (0,1,1) |
| 27.68 | 3.2227 | 27.7 | (1,1,0) |
| 39.55 | 2.2788 | 50.0 | (1,1,2) |
| 39.55 | 2.2788 | 100.0 | (1,-1,0) |
| 48.96 | 1.8606 | 9.3 | (2,0,0) |
| 48.96 | 1.8606 | 3.1 | (0,2,0) |
| 57.17 | 1.6113 | 8.4 | (0,2,2) |
| 57.17 | 1.6113 | 16.8 | (2,2,0) |
| 64.68 | 1.4412 | 2.8 | (1,2,3) |
| 64.68 | 1.4412 | 5.7 | (2,1,3) |
| 64.68 | 1.4412 | 8.5 | (2,-1,1) |
| 71.74 | 1.3157 | 4.2 | (0,1,3) |
| 71.74 | 1.3157 | 25.3 | (3,1,0) |
| 71.74 | 1.3157 | 21.1 | (3,3,2) |
| 85.16 | 1.1394 | 5.4 | (2,2,4) |
| 85.16 | 1.1394 | 10.8 | (2,-2,0) |
Energy Properties
Formation Energy/atom
-0.28465
eV/atom
Energy/atom
-7.46128
eV/atom
Energy above Hull
0.0963
eV/atom
Uncorrected Energy
-26.9861
eV/atom
Volume/atom
16.73
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.3257
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.019810
μB/ų
Elastic Properties
KVRH
111.695
GPa
GVRH
58.693
GPa
Young's Modulus E
149.834
GPa
Poisson Ratio ν
0.276
Pugh Ratio K/G
1.903
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.251
Lame λ
72.566
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.569
Family
Co-based Alloy
Matrix Element
Co · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-982739
Reference Citation
The crystal structure and related material properties of TmHfCo2 were obtained from the Materials Project database (MP-ID: mp-982739, 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_TmHfCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55753067
_cell_length_b 4.55753067
_cell_length_c 4.55753142
_cell_angle_alpha 59.99999456
_cell_angle_beta 60.00000544
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmHfCo2
_chemical_formula_sum 'Tm1 Hf1 Co2'
_cell_volume 66.93817575
_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
Tm Tm0 1 0.74999900 0.74999900 0.74999900 1.0
Hf Hf1 1 0.25000000 0.25000000 0.25000000 1.0
Co Co2 1 0.50000000 0.50000000 0.50000000 1.0
Co Co3 1 0.00000000 -0.00000000 -0.00000000 1.0
