Tm7Co4Sn23Ru2
高熵材料 HEAMP-ID: mp-3293456 · Space group: C2/m (#12)
Basic Information
Formula
Tm7Co4Sn23Ru2
MP-ID
mp-3293456
Elements
4
Sites
36
Density
9.0606
g/cm³
Volume
797.36
ų
Cell a
9.6850
Å
Cell b
9.6850
Å
Cell c
9.8171
Å
α Angle
90.40
°
β Angle
89.60
°
γ Angle
120.01
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 13.86 | 6.3893 | 3.4 | (1,0,-1,1) |
| 18.07 | 4.9084 | 3.5 | (0,0,0,2) |
| 18.32 | 4.8424 | 1.1 | (2,-1,-1,0) |
| 21.19 | 4.1938 | 3.5 | (2,-2,0,0) |
| 21.19 | 4.1933 | 6.0 | (2,0,-2,0) |
| 25.75 | 3.4594 | 1.1 | (2,-1,-1,2) |
| 25.94 | 3.4351 | 1.3 | (2,-1,-1,-2) |
| 27.25 | 3.2723 | 6.1 | (0,0,0,3) |
| 27.87 | 3.2013 | 1.6 | (2,-2,0,2) |
| 28.04 | 3.1819 | 3.7 | (2,0,-2,-2) |
| 29.38 | 3.0402 | 2.1 | (1,-1,0,-3) |
| 29.54 | 3.0235 | 3.2 | (3,-2,-1,1) |
| 29.56 | 3.0220 | 2.1 | (3,-1,-2,1) |
| 29.63 | 3.0150 | 3.2 | (2,1,-3,-1) |
| 32.01 | 2.7958 | 1.1 | (3,-3,0,0) |
| 32.93 | 2.7201 | 8.5 | (2,-1,-1,3) |
| 33.04 | 2.7112 | 14.2 | (1,1,-2,3) |
| 33.15 | 2.7025 | 4.7 | (2,-1,-1,-3) |
| 33.15 | 2.7025 | 4.7 | (1,-2,1,-3) |
| 33.25 | 2.6947 | 54.4 | (3,-3,0,1) |
| 33.29 | 2.6915 | 1.3 | (3,0,-3,1) |
| 33.36 | 2.6858 | 100.0 | (3,0,-3,-1) |
| 33.53 | 2.6724 | 8.0 | (3,-2,-1,2) |
| 33.53 | 2.6724 | 8.0 | (2,-3,1,2) |
Energy Properties
Formation Energy/atom
-0.38362
eV/atom
Energy/atom
-25.90572
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.9057
eV/atom
Volume/atom
22.15
ų
c/a Ratio
1.0137
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0051
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.639
Element Family
PostTransition-Noble
Solute Fraction
0.361
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0094
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.3919
J/mol·K
Ω Parameter
2.0331
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.372%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2900
smaller = more stable mixing
VEC
6.528
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
4.200
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7281
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293456
Reference Citation
The crystal structure and related material properties of Tm7Co4Sn23Ru2 were obtained from the Materials Project database (MP-ID: mp-3293456, 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_Tm7Co4Sn23Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.68494924
_cell_length_b 9.68494857
_cell_length_c 9.81714133
_cell_angle_alpha 90.40265162
_cell_angle_beta 89.59734754
_cell_angle_gamma 120.00935248
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm7Co4Sn23Ru2
_chemical_formula_sum 'Tm7 Co4 Sn23 Ru2'
_cell_volume 797.36121635
_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 0.48219873 0.51780127 0.30663005 1.0
Tm Tm1 1 0.51780127 0.48219873 0.69336995 1.0
Tm Tm2 1 0.48364315 0.96322020 0.30550946 1.0
Tm Tm3 1 0.51635685 0.03677980 0.69449054 1.0
Tm Tm4 1 0.03677980 0.51635685 0.30550946 1.0
Tm Tm5 1 0.96322020 0.48364315 0.69449054 1.0
Tm Tm6 1 0.00000000 0.00000000 0.00000000 1.0
Co Co7 1 0.82906736 0.66144657 0.19911809 1.0
Co Co8 1 0.17093264 0.33855343 0.80088191 1.0
Co Co9 1 0.33855343 0.17093264 0.19911809 1.0
Co Co10 1 0.66144657 0.82906736 0.80088191 1.0
Sn Sn11 1 0.11664430 0.88335570 0.27537848 1.0
Sn Sn12 1 0.88335570 0.11664430 0.72462152 1.0
Sn Sn13 1 0.12227028 0.23488083 0.27808630 1.0
Sn Sn14 1 0.87772972 0.76511917 0.72191370 1.0
Sn Sn15 1 0.76511917 0.87772972 0.27808630 1.0
Sn Sn16 1 0.23488083 0.12227028 0.72191370 1.0
Sn Sn17 1 0.77791834 0.22208166 0.45984388 1.0
Sn Sn18 1 0.22208166 0.77791834 0.54015612 1.0
Sn Sn19 1 0.77966765 0.55936045 0.45412574 1.0
Sn Sn20 1 0.22033235 0.44063955 0.54587426 1.0
Sn Sn21 1 0.44063955 0.22033235 0.45412574 1.0
Sn Sn22 1 0.55936045 0.77966765 0.54587426 1.0
Sn Sn23 1 0.34972596 0.00330210 0.00466831 1.0
Sn Sn24 1 0.65027404 0.99669790 0.99533169 1.0
Sn Sn25 1 0.00330210 0.34972596 0.99533169 1.0
Sn Sn26 1 0.99669790 0.65027404 0.00466831 1.0
Sn Sn27 1 0.65307581 0.65307581 1.00000000 1.0
Sn Sn28 1 0.34692419 0.34692419 0.00000000 1.0
Sn Sn29 1 0.33436731 0.66563269 0.12388401 1.0
Sn Sn30 1 0.66563269 0.33436731 0.87611599 1.0
Sn Sn31 1 0.33392654 0.66607346 0.82300451 1.0
Sn Sn32 1 0.66607346 0.33392654 0.17699549 1.0
Sn Sn33 1 0.00000000 0.00000000 0.50000000 1.0
Ru Ru34 1 0.83220094 0.16779906 0.19848042 1.0
Ru Ru35 1 0.16779906 0.83220094 0.80151958 1.0
