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HEAS Data Platform · Materials Science Database

Tm10In20Co9

高熵材料 HEA 传统材料 TRA

MP-ID: mp-637436 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula
Tm10In20Co9
MP-ID
mp-637436
Elements
3
Sites
78
Density
9.6200
g/cm³
Volume
1,559.07
ų
Cell a
13.0883
Å
Cell b
13.0883
Å
Cell c
9.1013
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.51 4.5506 2.4 (0,0,2)
21.47 4.1389 1.4 (3,1,0)
22.60 3.9341 4.3 (3,0,1)
26.43 3.3717 11.5 (3,2,1)
28.34 3.1493 5.8 (3,0,2)
28.94 3.0849 3.9 (3,3,0)
29.00 3.0791 4.5 (4,0,1)
29.17 3.0619 3.9 (3,1,2)
29.81 2.9973 4.4 (4,1,1)
30.60 2.9217 10.3 (3,3,1)
31.53 2.8378 20.3 (3,2,2)
32.53 2.7524 3.6 (2,0,3)
33.74 2.6566 80.1 (4,0,2)
34.45 2.6035 25.9 (4,1,2)
34.96 2.5668 7.6 (5,1,0)
35.14 2.5535 70.4 (3,3,2)
35.38 2.5371 4.5 (2,2,3)
35.69 2.5157 100.0 (4,3,1)
36.06 2.4908 34.1 (3,0,3)
36.50 2.4615 9.9 (4,2,2)
38.33 2.3482 1.6 (5,2,1)
38.68 2.3278 53.0 (3,2,3)
38.93 2.3137 28.9 (4,4,0)
39.61 2.2753 6.7 (0,0,4)
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Energy Properties

Formation Energy/atom
-0.27958
eV/atom
Energy/atom
-4.49008
eV/atom
Energy above Hull
0.0317
eV/atom
Uncorrected Energy
-4.4901
eV/atom
Volume/atom
19.99
ų
c/a Ratio
0.6954

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0756
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
In · 0.513
Element Family
PostTransition-Noble
Solute Fraction
0.487
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0298
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5620
J/mol·K
Ω Parameter
1.1439
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.990%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2482
smaller = more stable mixing
VEC
6.949
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
8.192
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9374
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (2)
aaacdqfd aaacxkye

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-637436
Reference Citation

The crystal structure and related material properties of Tm10In20Co9 were obtained from the Materials Project database (MP-ID: mp-637436, 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
Raw CIF Data 
# generated using pymatgen
data_Tm10In20Co9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.08826400
_cell_length_b   13.08826400
_cell_length_c   9.10127000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm10In20Co9
_chemical_formula_sum   'Tm20 In40 Co18'
_cell_volume   1559.07171063
_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  0.70392800  0.20392800  0.72977700  1.0
  Tm  Tm1  1  0.20392800  0.29607200  0.27022300  1.0
  Tm  Tm2  1  0.50000000  0.72485100  0.23131000  1.0
  Tm  Tm3  1  0.00000000  0.50000000  0.36283200  1.0
  Tm  Tm4  1  0.00000000  0.50000000  0.83923200  1.0
  Tm  Tm5  1  0.70392800  0.79607200  0.72977700  1.0
  Tm  Tm6  1  0.50000000  0.00000000  0.63716800  1.0
  Tm  Tm7  1  0.50000000  0.00000000  0.16076800  1.0
  Tm  Tm8  1  0.77514900  0.00000000  0.23131000  1.0
  Tm  Tm9  1  0.27514900  0.50000000  0.76869000  1.0
  Tm  Tm10  1  0.72485100  0.50000000  0.76869000  1.0
  Tm  Tm11  1  0.29607200  0.79607200  0.72977700  1.0
  Tm  Tm12  1  0.79607200  0.29607200  0.27022300  1.0
  Tm  Tm13  1  0.29607200  0.20392800  0.72977700  1.0
  Tm  Tm14  1  0.00000000  0.22485100  0.76869000  1.0
  Tm  Tm15  1  0.50000000  0.27514900  0.23131000  1.0
  Tm  Tm16  1  0.00000000  0.77514900  0.76869000  1.0
  Tm  Tm17  1  0.79607200  0.70392800  0.27022300  1.0
  Tm  Tm18  1  0.20392800  0.70392800  0.27022300  1.0
  Tm  Tm19  1  0.22485100  0.00000000  0.23131000  1.0
  In  In20  1  0.62888100  0.62888100  0.50000000  1.0
  In  In21  1  0.13081800  0.36918200  0.58984700  1.0
  In  In22  1  0.61421800  0.50000000  0.23591500  1.0
  In  In23  1  0.84785800  0.84785800  0.00000000  1.0
  In  In24  1  0.84785800  0.15214200  0.00000000  1.0
  In  In25  1  0.37111900  0.37111900  0.50000000  1.0
  In  In26  1  0.34785800  0.34785800  0.00000000  1.0
  In  In27  1  0.87111900  0.12888100  0.50000000  1.0
  In  In28  1  0.88578200  0.00000000  0.76408500  1.0
  In  In29  1  0.50000000  0.16830000  0.90428800  1.0
  In  In30  1  0.00000000  0.33170000  0.09571200  1.0
  In  In31  1  0.63081800  0.13081800  0.41015300  1.0
  In  In32  1  0.00000000  0.66830000  0.09571200  1.0
  In  In33  1  0.13081800  0.63081800  0.58984700  1.0
  In  In34  1  0.65214200  0.65214200  0.00000000  1.0
  In  In35  1  0.36918200  0.86918200  0.41015300  1.0
  In  In36  1  0.00000000  0.88578200  0.23591500  1.0
  In  In37  1  0.86918200  0.36918200  0.58984700  1.0
  In  In38  1  0.33170000  0.00000000  0.90428800  1.0
  In  In39  1  0.16830000  0.50000000  0.09571200  1.0
  In  In40  1  0.12888100  0.87111900  0.50000000  1.0
  In  In41  1  0.34785800  0.65214200  0.00000000  1.0
  In  In42  1  0.15214200  0.84785800  0.00000000  1.0
  In  In43  1  0.86918200  0.63081800  0.58984700  1.0
  In  In44  1  0.00000000  0.11421800  0.23591500  1.0
  In  In45  1  0.63081800  0.86918200  0.41015300  1.0
  In  In46  1  0.50000000  0.38578200  0.76408500  1.0
  In  In47  1  0.83170000  0.50000000  0.09571200  1.0
  In  In48  1  0.87111900  0.87111900  0.50000000  1.0
  In  In49  1  0.66830000  0.00000000  0.90428800  1.0
  In  In50  1  0.12888100  0.12888100  0.50000000  1.0
  In  In51  1  0.36918200  0.13081800  0.41015300  1.0
  In  In52  1  0.11421800  0.00000000  0.76408500  1.0
  In  In53  1  0.62888100  0.37111900  0.50000000  1.0
  In  In54  1  0.15214200  0.15214200  0.00000000  1.0
  In  In55  1  0.50000000  0.61421800  0.76408500  1.0
  In  In56  1  0.65214200  0.34785800  0.00000000  1.0
  In  In57  1  0.38578200  0.50000000  0.23591500  1.0
  In  In58  1  0.37111900  0.62888100  0.50000000  1.0
  In  In59  1  0.50000000  0.83170000  0.90428800  1.0
  Co  Co60  1  0.15789400  0.34210600  0.89646400  1.0
  Co  Co61  1  0.77525700  0.50000000  0.40616600  1.0
  Co  Co62  1  0.50000000  0.77525700  0.59383400  1.0
  Co  Co63  1  0.00000000  0.72474300  0.40616600  1.0
  Co  Co64  1  0.72474300  0.00000000  0.59383400  1.0
  Co  Co65  1  0.34210600  0.15789400  0.10353600  1.0
  Co  Co66  1  0.34210600  0.84210600  0.10353600  1.0
  Co  Co67  1  0.00000000  0.27525700  0.40616600  1.0
  Co  Co68  1  0.84210600  0.65789400  0.89646400  1.0
  Co  Co69  1  0.65789400  0.84210600  0.10353600  1.0
  Co  Co70  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co71  1  0.22474300  0.50000000  0.40616600  1.0
  Co  Co72  1  0.65789400  0.15789400  0.10353600  1.0
  Co  Co73  1  0.84210600  0.34210600  0.89646400  1.0
  Co  Co74  1  0.27525700  0.00000000  0.59383400  1.0
  Co  Co75  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co76  1  0.15789400  0.65789400  0.89646400  1.0
  Co  Co77  1  0.50000000  0.22474300  0.59383400  1.0
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