Tm2Co3Si5
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-971855 · Space group: Ibam (#72)
Basic Information
Formula
Tm2Co3Si5
MP-ID
mp-971855
Elements
3
Sites
20
Density
7.6054
g/cm³
Volume
286.06
ų
Cell a
7.7856
Å
Cell b
7.7855
Å
Cell c
7.7915
Å
α Angle
138.98
°
β Angle
105.93
°
γ Angle
88.30
°
Space Group
Ibam
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
Yes
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 |
|---|---|---|---|
| 12.32 | 7.1850 | 2.2 | (0,1,-1) |
| 12.32 | 7.1849 | 2.2 | (1,0,0) |
| 18.92 | 4.6913 | 74.0 | (1,-1,1) |
| 24.69 | 3.6060 | 57.8 | (1,1,-2) |
| 24.69 | 3.6059 | 57.8 | (1,1,0) |
| 24.71 | 3.6027 | 57.7 | (2,0,-1) |
| 24.71 | 3.6027 | 57.6 | (0,2,-1) |
| 24.78 | 3.5925 | 5.9 | (0,2,-2) |
| 24.78 | 3.5925 | 5.8 | (2,0,0) |
| 25.74 | 3.4614 | 15.8 | (1,2,-2) |
| 25.74 | 3.4614 | 15.7 | (2,1,-1) |
| 29.66 | 3.0117 | 9.2 | (1,-2,2) |
| 29.66 | 3.0117 | 9.2 | (2,-1,1) |
| 32.04 | 2.7931 | 87.4 | (2,2,-2) |
| 32.82 | 2.7290 | 91.3 | (1,-1,-1) |
| 35.16 | 2.5523 | 6.0 | (1,0,-2) |
| 35.16 | 2.5523 | 6.0 | (0,1,1) |
| 35.19 | 2.5500 | 6.1 | (2,-1,-1) |
| 35.19 | 2.5500 | 6.1 | (1,-2,0) |
| 36.65 | 2.4520 | 3.4 | (2,0,-2) |
| 36.65 | 2.4520 | 3.4 | (0,2,0) |
| 36.80 | 2.4424 | 91.8 | (0,2,-3) |
| 36.80 | 2.4423 | 91.9 | (2,0,1) |
| 36.85 | 2.4393 | 91.8 | (3,-1,0) |
Energy Properties
Formation Energy/atom
-0.72312
eV/atom
Energy/atom
-6.47230
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.1039
eV/atom
Volume/atom
14.30
ų
c/a Ratio
1.0008
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.1291
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.003950
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5605
J/mol·K
Ω Parameter
0.7083
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
17.001%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2571
smaller = more stable mixing
VEC
7.300
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-21.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9372
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.480
Family
Interstitial Alloy
Matrix Element
Si · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-971855
Reference Citation
The crystal structure and related material properties of Tm2Co3Si5 were obtained from the Materials Project database (MP-ID: mp-971855, 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_Tm2Co3Si5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.78556909
_cell_length_b 7.78548347
_cell_length_c 7.79148117
_cell_angle_alpha 138.97821541
_cell_angle_beta 105.92595853
_cell_angle_gamma 88.30244860
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm2Co3Si5
_chemical_formula_sum 'Tm4 Co6 Si10'
_cell_volume 286.06258716
_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
Tm Tm0 1 0.36784404 0.63537117 0.73280222 1.0
Tm Tm1 1 0.90251866 0.13503939 0.76721028 1.0
Tm Tm2 1 0.09747062 0.86496257 0.23277690 1.0
Tm Tm3 1 0.63217083 0.36463108 0.26721050 1.0
Co Co4 1 0.03117713 0.63829982 0.39170604 1.0
Co Co5 1 0.96878116 0.36168481 0.60826532 1.0
Co Co6 1 0.49992297 0.74988516 0.25005169 1.0
Co Co7 1 0.50009435 0.25013310 0.74995157 1.0
Co Co8 1 0.24658410 0.13949103 0.10827776 1.0
Co Co9 1 0.75342854 0.86049525 0.89174809 1.0
Si Si10 1 0.27526024 0.52529068 0.24991707 1.0
Si Si11 1 0.72498849 0.97514089 0.25004198 1.0
Si Si12 1 0.00036366 0.75019671 0.74992122 1.0
Si Si13 1 0.24125330 0.40080564 0.84054564 1.0
Si Si14 1 0.75874716 0.59919290 0.15945626 1.0
Si Si15 1 0.43971113 0.09925705 0.34052673 1.0
Si Si16 1 0.99964987 0.24981653 0.25007844 1.0
Si Si17 1 0.56028820 0.90074245 0.65947262 1.0
Si Si18 1 0.72473749 0.47470630 0.75008262 1.0
Si Si19 1 0.27500807 0.02485546 0.74995705 1.0
