Tm7Co5TcSn23
高熵材料 HEAMP-ID: mp-3293443 · Space group: Cm (#8)
Basic Information
Formula
Tm7Co5TcSn23
MP-ID
mp-3293443
Elements
4
Sites
36
Density
9.0010
g/cm³
Volume
794.30
ų
Cell a
9.6680
Å
Cell b
9.6680
Å
Cell c
9.8120
Å
α Angle
90.24
°
β Angle
89.76
°
γ Angle
119.99
°
Space Group
Cm
Point Group
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 |
|---|---|---|---|
| 13.89 | 6.3770 | 2.1 | (1,0,-1,1) |
| 18.08 | 4.9059 | 2.9 | (0,0,0,2) |
| 21.22 | 4.1867 | 6.5 | (2,0,-2,0) |
| 21.22 | 4.1861 | 3.5 | (2,-2,0,0) |
| 27.27 | 3.2706 | 6.5 | (0,0,0,3) |
| 27.95 | 3.1921 | 1.5 | (2,-2,0,2) |
| 28.05 | 3.1808 | 3.4 | (2,0,-2,-2) |
| 29.29 | 3.0490 | 1.3 | (1,0,-1,3) |
| 29.37 | 3.0414 | 1.5 | (1,-1,0,-3) |
| 29.62 | 3.0158 | 2.8 | (3,-2,-1,1) |
| 29.63 | 3.0151 | 1.5 | (3,-1,-2,1) |
| 29.67 | 3.0113 | 2.9 | (2,1,-3,-1) |
| 29.69 | 3.0086 | 2.5 | (3,-1,-2,-1) |
| 33.00 | 2.7142 | 4.8 | (1,-2,1,3) |
| 33.00 | 2.7142 | 4.8 | (2,-1,-1,3) |
| 33.07 | 2.7090 | 11.9 | (1,1,-2,3) |
| 33.14 | 2.7036 | 10.2 | (2,-1,-1,-3) |
| 33.34 | 2.6877 | 52.3 | (3,-3,0,1) |
| 33.35 | 2.6863 | 1.3 | (3,0,-3,1) |
| 33.40 | 2.6829 | 100.0 | (3,0,-3,-1) |
| 33.63 | 2.6649 | 17.3 | (3,-2,-1,2) |
| 33.64 | 2.6638 | 16.8 | (3,-1,-2,2) |
| 33.69 | 2.6607 | 17.3 | (2,1,-3,2) |
| 33.71 | 2.6584 | 16.2 | (2,1,-3,-2) |
Energy Properties
Formation Energy/atom
-0.34259
eV/atom
Energy/atom
-25.54108
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.5411
eV/atom
Volume/atom
22.06
ų
c/a Ratio
1.0149
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0358
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000050
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
0.9784
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.1343
J/mol·K
Ω Parameter
2.2417
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.618%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2761
smaller = more stable mixing
VEC
6.472
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
3.590
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7058
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293443
Reference Citation
The crystal structure and related material properties of Tm7Co5TcSn23 were obtained from the Materials Project database (MP-ID: mp-3293443, 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_Tm7Co5TcSn23
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.66795594
_cell_length_b 9.66795621
_cell_length_c 9.81195191
_cell_angle_alpha 90.24183334
_cell_angle_beta 89.75816650
_cell_angle_gamma 119.99157148
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm7Co5TcSn23
_chemical_formula_sum 'Tm7 Co5 Tc1 Sn23'
_cell_volume 794.30464107
_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 0.99441431 0.00558569 0.00524853 1.0
Tm Tm1 1 0.48268300 0.51731700 0.30650087 1.0
Tm Tm2 1 0.51936809 0.48063191 0.69310968 1.0
Tm Tm3 1 0.48293425 0.96285011 0.30554153 1.0
Tm Tm4 1 0.51708048 0.03790453 0.69449544 1.0
Tm Tm5 1 0.03714989 0.51706575 0.30554153 1.0
Tm Tm6 1 0.96209547 0.48291952 0.69449544 1.0
Co Co7 1 0.16878220 0.83121780 0.80175836 1.0
Co Co8 1 0.83112665 0.66209317 0.19760616 1.0
Co Co9 1 0.17123530 0.33802321 0.80049290 1.0
Co Co10 1 0.33790683 0.16887335 0.19760616 1.0
Co Co11 1 0.66197679 0.82876470 0.80049290 1.0
Tc Tc12 1 0.83330926 0.16669074 0.19890119 1.0
Sn Sn13 1 0.34390302 0.99877742 0.99988758 1.0
Sn Sn14 1 0.64863997 0.99638957 0.99436423 1.0
Sn Sn15 1 0.00361043 0.35136003 0.99436423 1.0
Sn Sn16 1 0.00122258 0.65609698 0.99988758 1.0
Sn Sn17 1 0.65349622 0.65263646 0.99935452 1.0
Sn Sn18 1 0.34736354 0.34650378 0.99935452 1.0
Sn Sn19 1 0.33345495 0.66654505 0.82128077 1.0
Sn Sn20 1 0.66625335 0.33374665 0.17680907 1.0
Sn Sn21 1 0.99961978 0.00038022 0.50155339 1.0
Sn Sn22 1 0.77742922 0.22257078 0.46061824 1.0
Sn Sn23 1 0.21977356 0.78022644 0.54587053 1.0
Sn Sn24 1 0.78092779 0.56108750 0.45421926 1.0
Sn Sn25 1 0.22138075 0.44154409 0.54650521 1.0
Sn Sn26 1 0.43891250 0.21907221 0.45421926 1.0
Sn Sn27 1 0.55845591 0.77861925 0.54650521 1.0
Sn Sn28 1 0.33400555 0.66599445 0.12265580 1.0
Sn Sn29 1 0.66572210 0.33427790 0.87661595 1.0
Sn Sn30 1 0.11697679 0.88302321 0.27490821 1.0
Sn Sn31 1 0.88298647 0.11701353 0.72322835 1.0
Sn Sn32 1 0.12478262 0.23606807 0.27751576 1.0
Sn Sn33 1 0.88393189 0.76684246 0.72548795 1.0
Sn Sn34 1 0.76393193 0.87521738 0.27751576 1.0
Sn Sn35 1 0.23315754 0.11606811 0.72548795 1.0
