Sr9Yb3(YSn2)8

高熵材料 HEA

MP-ID: mp-3293256 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Sr9Yb3(YSn2)8

MP-ID

mp-3293256

Elements

Sites

Density

5.7471

g/cm³

Volume

1,132.13

Å³

Cell a

8.0676

Cell b

8.5796

Cell c

16.3565

α Angle

90.04

β Angle

89.96

γ Angle

90.22

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
5.40	16.3565	8.9	(0,0,1)
10.31	8.5795	1.7	(0,1,0)
10.82	8.1783	41.9	(0,0,2)
11.64	7.5997	4.9	(0,1,-1)
11.65	7.5958	3.5	(0,1,1)
12.23	7.2373	1.3	(1,0,1)
15.05	5.8886	20.7	(1,-1,0)
15.10	5.8661	18.3	(1,1,0)
15.99	5.5421	1.2	(1,-1,1)
16.05	5.5218	1.3	(1,1,1)
16.05	5.5216	1.2	(1,1,-1)
18.56	4.7808	5.4	(1,-1,2)
18.58	4.7766	4.7	(1,-1,-2)
18.61	4.7668	6.1	(1,1,2)
18.62	4.7665	5.2	(1,1,-2)
20.71	4.2898	20.5	(0,2,0)
21.73	4.0891	29.7	(0,0,4)
22.04	4.0338	7.2	(2,0,0)
22.21	4.0025	2.2	(1,-1,3)
22.23	3.9988	2.6	(1,-1,-3)
22.26	3.9937	2.0	(1,1,3)
22.26	3.9935	2.7	(1,1,-3)
22.70	3.9171	3.7	(2,0,1)
22.71	3.9158	3.9	(2,0,-1)

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Energy Properties

Formation Energy/atom

-0.83643

eV/atom

Energy/atom

-23.17940

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.1794

eV/atom

Volume/atom

31.45

Å³

c/a Ratio

2.0274

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.9583

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002610

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2483

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.3784

J/mol·K

Ω Parameter

0.9110

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.748%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4468

smaller = more stable mixing

VEC

4.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.144

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9005

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjrs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293256

Reference Citation

The crystal structure and related material properties of Sr9Yb3(YSn2)8 were obtained from the Materials Project database (MP-ID: mp-3293256, 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_Sr9Yb3(YSn2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06760096
_cell_length_b   8.57958272
_cell_length_c   16.35651886
_cell_angle_alpha   90.03663708
_cell_angle_beta   89.96030680
_cell_angle_gamma   90.21974242
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr9Yb3(YSn2)8
_chemical_formula_sum   'Sr9 Yb3 Y8 Sn16'
_cell_volume   1132.13461022
_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
  Sr  Sr0  1  0.18052396  0.32863031  0.61935045  1.0
  Sr  Sr1  1  0.50572514  0.68234009  0.59449870  1.0
  Sr  Sr2  1  0.00771618  0.82080555  0.90852992  1.0
  Sr  Sr3  1  0.49022265  0.31786697  0.09495372  1.0
  Sr  Sr4  1  0.99127363  0.18444990  0.40332417  1.0
  Sr  Sr5  1  0.49102883  0.31726879  0.40444647  1.0
  Sr  Sr6  1  0.99088425  0.18332218  0.09512278  1.0
  Sr  Sr7  1  0.50683009  0.68283780  0.90770574  1.0
  Sr  Sr8  1  0.00919282  0.81876595  0.59226300  1.0
  Yb  Yb9  1  0.33816460  0.99037225  0.75072932  1.0
  Yb  Yb10  1  0.15955240  0.49144491  0.24890310  1.0
  Yb  Yb11  1  0.66138190  0.00854723  0.25006225  1.0
  Y  Y12  1  0.67537113  0.16494519  0.62306004  1.0
  Y  Y13  1  0.17669831  0.32946929  0.87929553  1.0
  Y  Y14  1  0.32392143  0.83085864  0.12308542  1.0
  Y  Y15  1  0.82433545  0.66834733  0.37519372  1.0
  Y  Y16  1  0.32527014  0.83163804  0.37540400  1.0
  Y  Y17  1  0.82498299  0.66901018  0.12271361  1.0
  Y  Y18  1  0.67380106  0.16592991  0.87939563  1.0
  Y  Y19  1  0.84219779  0.50977898  0.74978356  1.0
  Sn  Sn20  1  0.66649287  0.95886828  0.45792336  1.0
  Sn  Sn21  1  0.15951248  0.53918235  0.04112646  1.0
  Sn  Sn22  1  0.33994284  0.03947442  0.96030804  1.0
  Sn  Sn23  1  0.82976640  0.46464404  0.54068064  1.0
  Sn  Sn24  1  0.35133789  0.03105022  0.53876945  1.0
  Sn  Sn25  1  0.83980499  0.46271584  0.95662131  1.0
  Sn  Sn26  1  0.65988014  0.96099863  0.04213264  1.0
  Sn  Sn27  1  0.15409449  0.54393019  0.45292498  1.0
  Sn  Sn28  1  0.48128295  0.37870920  0.75634712  1.0
  Sn  Sn29  1  0.96788926  0.12599028  0.75377015  1.0
  Sn  Sn30  1  0.52654419  0.62861866  0.24876196  1.0
  Sn  Sn31  1  0.02693568  0.87216004  0.24800097  1.0
  Sn  Sn32  1  0.72114371  0.87573799  0.75152499  1.0
  Sn  Sn33  1  0.21866169  0.62067813  0.75537164  1.0
  Sn  Sn34  1  0.28008814  0.11701414  0.24923452  1.0
  Sn  Sn35  1  0.77754554  0.38359510  0.24867962  1.0

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