Sr2Ga10Pd

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3293973 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Sr2Ga10Pd

MP-ID

mp-3293973

Elements

Sites

Density

6.2400

g/cm³

Volume

260.49

Å³

Cell a

4.4127

Cell b

4.4128

Cell c

13.7386

α Angle

99.26

β Angle

99.26

γ Angle

90.03

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
6.61	13.3777	39.1	(0,0,1)
13.24	6.6888	16.1	(0,0,2)
19.91	4.4592	1.5	(0,0,3)
20.40	4.3543	1.4	(0,1,-1)
20.40	4.3542	1.4	(1,0,-1)
20.40	4.3536	1.5	(0,1,0)
20.40	4.3536	1.5	(1,0,0)
22.48	3.9558	7.0	(0,1,-2)
22.48	3.9558	7.0	(1,0,-2)
22.48	3.9544	6.9	(0,1,1)
22.48	3.9544	6.9	(1,0,1)
26.17	3.4052	2.7	(0,1,-3)
26.17	3.4052	2.7	(1,0,-3)
26.18	3.4037	2.7	(0,1,2)
26.18	3.4037	2.7	(1,0,2)
28.60	3.1210	4.9	(1,-1,0)
28.61	3.1196	4.9	(1,1,-1)
29.39	3.0394	2.6	(1,-1,1)
29.39	3.0394	2.6	(1,-1,-1)
29.40	3.0385	2.7	(1,1,-2)
29.40	3.0376	2.5	(1,1,0)
30.95	2.8898	35.7	(0,1,-4)
30.95	2.8898	35.7	(1,0,-4)
30.96	2.8884	35.2	(0,1,3)

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Energy Properties

Formation Energy/atom

-0.48316

eV/atom

Energy/atom

-13.38158

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.3816

eV/atom

Volume/atom

20.04

Å³

c/a Ratio

3.1134

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.769

Element Family

PostTransition-Noble

Solute Fraction

0.231

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6871

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.7125

J/mol·K

Ω Parameter

0.5157

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.116%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3391

smaller = more stable mixing

VEC

3.385

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.928

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6254

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkth

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293973

Reference Citation

The crystal structure and related material properties of Sr2Ga10Pd were obtained from the Materials Project database (MP-ID: mp-3293973, 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_Sr2Ga10Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41272237
_cell_length_b   4.41274566
_cell_length_c   13.73857997
_cell_angle_alpha   99.26367030
_cell_angle_beta   99.26342861
_cell_angle_gamma   90.02537107
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ga10Pd
_chemical_formula_sum   'Sr2 Ga10 Pd1'
_cell_volume   260.49293410
_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  0.64632797  0.64633479  0.29373460  1.0
  Sr  Sr1  1  0.35368587  0.35368621  0.70632265  1.0
  Ga  Ga2  1  0.55046177  0.05056902  0.10087031  1.0
  Ga  Ga3  1  0.05055571  0.55046155  0.10087068  1.0
  Ga  Ga4  1  0.10310993  0.10311464  0.20604255  1.0
  Ga  Ga5  1  0.19584120  0.19584370  0.39307445  1.0
  Ga  Ga6  1  0.74905230  0.25082848  0.49991485  1.0
  Ga  Ga7  1  0.25082372  0.74905506  0.49991492  1.0
  Ga  Ga8  1  0.80409046  0.80409601  0.60680081  1.0
  Ga  Ga9  1  0.89689089  0.89689521  0.79400327  1.0
  Ga  Ga10  1  0.94952347  0.44961343  0.89928358  1.0
  Ga  Ga11  1  0.44961410  0.94953821  0.89928397  1.0
  Pd  Pd12  1  0.50001962  0.49996070  0.99988236  1.0

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