Tb7Sn23(OsRu)3

高熵材料 HEA

MP-ID: mp-3293436 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Tb7Sn23(OsRu)3

MP-ID

mp-3293436

Elements

Sites

Density

9.3153

g/cm³

Volume

840.80

Å³

Cell a

9.8383

Cell b

9.8435

Cell c

10.0315

α Angle

90.08

β Angle

89.84

γ Angle

120.06

Space Group

Point Group

Crystal System

Triclinic

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
8.82	10.0315	8.4	(0,0,0,1)
10.38	8.5251	1.2	(1,-1,0,0)
10.38	8.5194	1.3	(0,1,-1,0)
10.39	8.5148	4.0	(1,0,-1,0)
13.62	6.4993	18.3	(1,0,-1,1)
13.64	6.4936	1.8	(0,1,-1,1)
13.64	6.4936	7.2	(0,1,-1,-1)
13.65	6.4885	1.2	(1,-1,0,-1)
13.66	6.4840	5.7	(1,0,-1,-1)
17.68	5.0157	27.0	(0,0,0,2)
18.02	4.9218	8.0	(1,-2,1,0)
18.03	4.9191	2.6	(2,-1,-1,0)
20.57	4.3172	1.6	(1,0,-1,-2)
20.84	4.2626	1.2	(2,-2,0,0)
20.85	4.2597	1.1	(0,2,-2,0)
22.65	3.9265	8.2	(2,-2,0,1)
22.67	3.9224	1.3	(2,0,-2,1)
22.68	3.9209	8.1	(0,2,-2,1)
22.68	3.9208	1.4	(0,2,-2,-1)
22.69	3.9197	1.6	(2,-2,0,-1)
22.71	3.9157	7.9	(2,0,-2,-1)
25.33	3.5169	2.0	(2,-1,-1,2)
25.34	3.5154	4.3	(1,-2,1,2)
25.37	3.5106	4.6	(1,-2,1,-2)

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Energy Properties

Formation Energy/atom

-0.44840

eV/atom

Energy/atom

-28.86442

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.8644

eV/atom

Volume/atom

23.36

Å³

c/a Ratio

1.0196

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0107

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

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

1.0188

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4704

J/mol·K

Ω Parameter

1.6782

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.109%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3704

smaller = more stable mixing

VEC

5.639

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

5.715

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7349

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjyq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293436

Reference Citation

The crystal structure and related material properties of Tb7Sn23(OsRu)3 were obtained from the Materials Project database (MP-ID: mp-3293436, 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…

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Raw CIF Data

# generated using pymatgen
data_Tb7Sn23(OsRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83830908
_cell_length_b   9.84351676
_cell_length_c   10.03149055
_cell_angle_alpha   90.07858077
_cell_angle_beta   89.84213564
_cell_angle_gamma   120.06241109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb7Sn23(OsRu)3
_chemical_formula_sum   'Tb7 Sn23 Os3 Ru3'
_cell_volume   840.79811548
_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
  Tb  Tb0  1  0.99861065  0.99718991  0.00181427  1.0
  Tb  Tb1  1  0.48491636  0.51630541  0.30133625  1.0
  Tb  Tb2  1  0.51624421  0.48400289  0.69777843  1.0
  Tb  Tb3  1  0.48464661  0.96829916  0.30152902  1.0
  Tb  Tb4  1  0.51539139  0.03187439  0.69821139  1.0
  Tb  Tb5  1  0.03124326  0.51574881  0.30108961  1.0
  Tb  Tb6  1  0.96785385  0.48458954  0.69792550  1.0
  Sn  Sn7  1  0.34800334  0.99914092  0.00151893  1.0
  Sn  Sn8  1  0.65132037  0.99957693  0.99893715  1.0
  Sn  Sn9  1  0.99985918  0.34765749  0.99860731  1.0
  Sn  Sn10  1  0.00005024  0.65030553  0.99991568  1.0
  Sn  Sn11  1  0.65088248  0.65077916  0.99872778  1.0
  Sn  Sn12  1  0.34713002  0.34724461  0.99996368  1.0
  Sn  Sn13  1  0.33325164  0.66650098  0.82270344  1.0
  Sn  Sn14  1  0.66650615  0.33317025  0.17530954  1.0
  Sn  Sn15  1  0.00098561  0.00188938  0.50094859  1.0
  Sn  Sn16  1  0.77729039  0.22295637  0.46150793  1.0
  Sn  Sn17  1  0.22274764  0.77737746  0.53835634  1.0
  Sn  Sn18  1  0.77734268  0.55455331  0.46122842  1.0
  Sn  Sn19  1  0.22303508  0.44626659  0.53900027  1.0
  Sn  Sn20  1  0.44649427  0.22328465  0.46054951  1.0
  Sn  Sn21  1  0.55384327  0.77708616  0.53934558  1.0
  Sn  Sn22  1  0.33403753  0.66650851  0.12700161  1.0
  Sn  Sn23  1  0.66598813  0.33327512  0.87264212  1.0
  Sn  Sn24  1  0.11674202  0.88460058  0.28057129  1.0
  Sn  Sn25  1  0.88387187  0.11669519  0.72182484  1.0
  Sn  Sn26  1  0.11704174  0.23344864  0.27958519  1.0
  Sn  Sn27  1  0.88357595  0.76780306  0.72029945  1.0
  Sn  Sn28  1  0.76707738  0.88385857  0.28122830  1.0
  Sn  Sn29  1  0.23366355  0.11743126  0.72120448  1.0
  Os  Os30  1  0.82993638  0.16966364  0.20213372  1.0
  Os  Os31  1  0.17005228  0.83026772  0.79772251  1.0
  Os  Os32  1  0.83018665  0.66097940  0.20198355  1.0
  Ru  Ru33  1  0.17023349  0.33975966  0.79761470  1.0
  Ru  Ru34  1  0.33909423  0.16967846  0.20204073  1.0
  Ru  Ru35  1  0.66085211  0.83023030  0.79784087  1.0

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