Tm12Co4SnOs

高熵材料 HEA

MP-ID: mp-3295924 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Tm12Co4SnOs

MP-ID

mp-3295924

Elements

Sites

Density

10.3813

g/cm³

Volume

411.39

Å³

Cell a

8.1206

Cell b

8.1206

Cell c

8.1206

α Angle

111.43

β Angle

110.50

γ Angle

106.52

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
13.21	6.7019	2.1	(1,0,0)
13.21	6.7019	2.1	(0,1,-1)
13.29	6.6602	7.4	(0,1,0)
19.18	4.6287	1.0	(1,-1,1)
26.77	3.3301	7.8	(0,2,0)
27.41	3.2535	1.6	(0,0,2)
29.22	3.0567	16.8	(2,1,-1)
29.25	3.0528	7.3	(1,2,-1)
30.39	2.9410	9.4	(2,-1,1)
30.39	2.9410	9.4	(1,-2,2)
30.57	2.9239	5.3	(1,-1,2)
30.73	2.9095	4.3	(1,-2,-1)
30.87	2.8964	33.6	(1,-1,-2)
33.14	2.7032	33.3	(1,1,1)
33.14	2.7032	100.0	(3,-1,-1)
35.22	2.5484	3.8	(2,1,0)
35.32	2.5415	38.3	(1,2,0)
35.85	2.5051	28.9	(2,0,1)
35.85	2.5051	28.9	(0,2,-3)
36.11	2.4877	3.1	(0,2,1)
36.32	2.4738	8.6	(1,0,2)
36.32	2.4738	25.8	(3,-2,0)
36.48	2.4633	13.7	(0,1,2)
37.01	2.4288	21.2	(2,2,-2)

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Energy Properties

Formation Energy/atom

-0.32646

eV/atom

Energy/atom

-30.99985

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.9999

eV/atom

Volume/atom

22.85

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1451

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000350

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9257

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6963

J/mol·K

Ω Parameter

227.4401

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.396%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3353

smaller = more stable mixing

VEC

11.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.061

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6678

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnqi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295924

Reference Citation

The crystal structure and related material properties of Tm12Co4SnOs were obtained from the Materials Project database (MP-ID: mp-3295924, 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_Tm12Co4SnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12057604
_cell_length_b   8.12057513
_cell_length_c   8.12057530
_cell_angle_alpha   111.43323093
_cell_angle_beta   110.50073687
_cell_angle_gamma   106.52082025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm12Co4SnOs
_chemical_formula_sum   'Tm12 Co4 Sn1 Os1'
_cell_volume   411.38576597
_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  0.41622880  0.21937697  0.19685083  1.0
  Tm  Tm1  1  0.58377120  0.78062303  0.80314917  1.0
  Tm  Tm2  1  0.02252615  0.21937697  0.80314917  1.0
  Tm  Tm3  1  0.97747385  0.78062303  0.19685083  1.0
  Tm  Tm4  1  0.18237007  0.28053414  0.46290321  1.0
  Tm  Tm5  1  0.81762993  0.71946586  0.53709679  1.0
  Tm  Tm6  1  0.18237007  0.71946586  0.90183593  1.0
  Tm  Tm7  1  0.81762993  0.28053414  0.09816407  1.0
  Tm  Tm8  1  0.31156393  0.61671767  0.30515375  1.0
  Tm  Tm9  1  0.68843607  0.38328233  0.69484625  1.0
  Tm  Tm10  1  0.31156393  0.00640818  0.69484625  1.0
  Tm  Tm11  1  0.68843607  0.99359182  0.30515375  1.0
  Co  Co12  1  0.37939320  1.00000000  0.37939320  1.0
  Co  Co13  1  0.62060680  0.00000000  0.62060680  1.0
  Co  Co14  1  0.11035861  0.61035861  0.50000000  1.0
  Co  Co15  1  0.88964139  0.38964139  0.50000000  1.0
  Sn  Sn16  1  0.50000000  0.50000000  0.00000000  1.0
  Os  Os17  1  0.00000000  0.00000000  0.00000000  1.0

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