Y6TmSn23Os6

高熵材料 HEA

MP-ID: mp-3293429 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Y6TmSn23Os6

MP-ID

mp-3293429

Elements

Sites

Density

9.0425

g/cm³

Volume

839.97

Å³

Cell a

9.8374

Cell b

9.8274

Cell c

10.0292

α Angle

90.00

β Angle

90.04

γ Angle

119.97

Space Group

Point Group

Crystal System

Monoclinic

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	10.0292	24.6	(0,0,1)
10.38	8.5223	12.3	(1,0,0)
10.39	8.5137	1.9	(1,-1,0)
13.63	6.4967	16.6	(1,0,-1)
13.64	6.4919	8.2	(1,0,1)
13.64	6.4917	24.1	(1,-1,-1)
13.65	6.4892	27.0	(1,-1,1)
17.69	5.0146	34.0	(0,0,2)
18.03	4.9187	6.9	(2,-1,0)
18.03	4.9187	6.9	(1,1,0)
18.05	4.9137	1.8	(1,-2,0)
20.10	4.4173	1.7	(2,-1,-1)
20.10	4.4173	1.7	(1,1,-1)
20.11	4.4150	2.4	(2,-1,1)
20.12	4.4126	4.6	(1,-2,1)
20.54	4.3234	5.9	(1,0,-2)
20.55	4.3215	1.4	(1,-1,-2)
20.56	4.3205	3.1	(1,0,2)
20.56	4.3201	4.8	(1,-1,2)
20.85	4.2612	6.2	(2,0,0)
20.87	4.2568	11.9	(2,-2,0)
22.67	3.9229	19.6	(2,0,-1)
22.68	3.9208	6.2	(2,0,1)
22.69	3.9190	14.9	(2,-2,-1)

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Energy Properties

Formation Energy/atom

-0.39304

eV/atom

Energy/atom

-29.39516

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.3952

eV/atom

Volume/atom

23.33

Å³

c/a Ratio

1.0195

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0096

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

0.9830

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1729

J/mol·K

Ω Parameter

0.9840

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.979%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3229

smaller = more stable mixing

VEC

4.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.166

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7091

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjyj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293429

Reference Citation

The crystal structure and related material properties of Y6TmSn23Os6 were obtained from the Materials Project database (MP-ID: mp-3293429, 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_Y6TmSn23Os6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83742036
_cell_length_b   9.82739590
_cell_length_c   10.02917274
_cell_angle_alpha   90.00000114
_cell_angle_beta   90.03788946
_cell_angle_gamma   119.96630545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y6TmSn23Os6
_chemical_formula_sum   'Y6 Tm1 Sn23 Os6'
_cell_volume   839.96783032
_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
  Y  Y0  1  0.00133615  0.00066858  0.00050767  1.0
  Y  Y1  1  0.48490065  0.96882760  0.30139371  1.0
  Y  Y2  1  0.48490065  0.51607305  0.30139371  1.0
  Y  Y3  1  0.96862757  0.48431428  0.69874471  1.0
  Y  Y4  1  0.51539804  0.03101131  0.69839234  1.0
  Y  Y5  1  0.51539804  0.48438774  0.69839234  1.0
  Tm  Tm6  1  0.02650692  0.51325346  0.29953421  1.0
  Sn  Sn7  1  0.00040983  0.00020441  0.49982354  1.0
  Sn  Sn8  1  0.11688430  0.88260632  0.28215170  1.0
  Sn  Sn9  1  0.76876916  0.88438508  0.28164032  1.0
  Sn  Sn10  1  0.11688430  0.23427898  0.28215170  1.0
  Sn  Sn11  1  0.88381932  0.11616072  0.71841574  1.0
  Sn  Sn12  1  0.23253363  0.11626681  0.71811562  1.0
  Sn  Sn13  1  0.88381932  0.76765861  0.71841574  1.0
  Sn  Sn14  1  0.34884987  0.99966631  0.00016151  1.0
  Sn  Sn15  1  0.65201518  0.65137599  0.00009511  1.0
  Sn  Sn16  1  0.00053520  0.34919532  0.00005181  1.0
  Sn  Sn17  1  0.34884987  0.34918356  0.00016151  1.0
  Sn  Sn18  1  0.00053520  0.65133988  0.00005181  1.0
  Sn  Sn19  1  0.65201518  0.00063919  0.00009511  1.0
  Sn  Sn20  1  0.77741696  0.55313618  0.46115480  1.0
  Sn  Sn21  1  0.77741696  0.22428178  0.46115480  1.0
  Sn  Sn22  1  0.44704533  0.22352267  0.46101609  1.0
  Sn  Sn23  1  0.22260953  0.44729854  0.53787093  1.0
  Sn  Sn24  1  0.22260953  0.77530899  0.53787093  1.0
  Sn  Sn25  1  0.55353631  0.77676765  0.53865203  1.0
  Sn  Sn26  1  0.66626059  0.33312929  0.17262776  1.0
  Sn  Sn27  1  0.33361790  0.66680895  0.82747222  1.0
  Sn  Sn28  1  0.66637558  0.33318779  0.87136330  1.0
  Sn  Sn29  1  0.32876075  0.66438138  0.13068784  1.0
  Os  Os30  1  0.16987999  0.83011948  0.79764112  1.0
  Os  Os31  1  0.66037509  0.83018754  0.79810282  1.0
  Os  Os32  1  0.16987999  0.33976151  0.79764112  1.0
  Os  Os33  1  0.83108466  0.17137045  0.20242798  1.0
  Os  Os34  1  0.33905575  0.16952738  0.20219940  1.0
  Os  Os35  1  0.83108466  0.65971421  0.20242798  1.0

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