Basic Information
Formula
TmLuCo2
MP-ID
mp-980669
Elements
3
Sites
4
Density
10.8532
g/cm³
Volume
70.65
ų
Cell a
4.6401
Å
Cell b
4.6403
Å
Cell c
4.6403
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
Yes
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 27.18 | 3.2813 | 54.3 | (0,1,1) |
| 27.18 | 3.2812 | 54.3 | (1,1,0) |
| 27.18 | 3.2811 | 54.3 | (1,0,1) |
| 38.81 | 2.3202 | 100.0 | (1,0,-1) |
| 38.81 | 2.3202 | 100.0 | (1,2,1) |
| 38.81 | 2.3201 | 100.0 | (1,1,2) |
| 38.81 | 2.3201 | 100.0 | (0,1,-1) |
| 38.81 | 2.3201 | 100.0 | (1,-1,0) |
| 38.82 | 2.3201 | 100.0 | (2,1,1) |
| 48.03 | 1.8944 | 12.3 | (0,0,2) |
| 48.03 | 1.8944 | 12.3 | (0,2,0) |
| 48.03 | 1.8944 | 12.3 | (2,0,0) |
| 48.03 | 1.8944 | 12.3 | (2,2,2) |
| 56.05 | 1.6406 | 33.9 | (0,2,2) |
| 56.06 | 1.6406 | 33.9 | (2,2,0) |
| 56.06 | 1.6405 | 33.9 | (2,0,2) |
| 63.38 | 1.4674 | 5.6 | (1,-1,-2) |
| 63.39 | 1.4674 | 5.6 | (1,2,3) |
| 63.39 | 1.4674 | 5.6 | (1,3,2) |
| 63.39 | 1.4674 | 5.6 | (1,-2,-1) |
| 63.39 | 1.4674 | 5.6 | (2,1,-1) |
| 63.39 | 1.4674 | 5.6 | (1,2,-1) |
| 63.39 | 1.4674 | 5.6 | (2,3,1) |
| 63.39 | 1.4674 | 5.6 | (1,-1,2) |
Energy Properties
Formation Energy/atom
-0.23752
eV/atom
Energy/atom
-6.05527
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.1439
eV/atom
Volume/atom
17.66
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
0.8312
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.011760
μB/ų
Elastic Properties
KVRH
209.285
GPa
GVRH
47.005
GPa
Young's Modulus E
131.193
GPa
Poisson Ratio ν
0.396
Pugh Ratio K/G
4.452
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.020
Lame λ
177.948
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.667%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3101
smaller = more stable mixing
VEC
8.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-980669
Reference Citation
The crystal structure and related material properties of TmLuCo2 were obtained from the Materials Project database (MP-ID: mp-980669, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_TmLuCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64011426
_cell_length_b 4.64030124
_cell_length_c 4.64028318
_cell_angle_alpha 59.99983409
_cell_angle_beta 60.00257795
_cell_angle_gamma 60.00058282
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmLuCo2
_chemical_formula_sum 'Tm1 Lu1 Co2'
_cell_volume 70.65032527
_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 0.75000000 0.74999967 0.75000033 1.0
Lu Lu1 1 0.25000000 0.25000087 0.24999913 1.0
Co Co2 1 0.50000103 0.49999922 0.50000076 1.0
Co Co3 1 0.99999897 0.00000024 -0.00000022 1.0
