SrEu7Bi6

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295414 · Space group: R3 (#146)

Materials Project API

Basic Information

Formula

SrEu7Bi6

MP-ID

mp-3295414

Elements

Sites

Density

8.1141

g/cm³

Volume

492.23

Å³

Cell a

8.6390

Cell b

8.6072

Cell c

8.6072

α Angle

109.40

β Angle

109.55

γ Angle

109.55

Space Group

Point Group

Crystal System

Trigonal

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
12.57	7.0440	1.4	(1,0,0)
12.60	7.0245	1.6	(0,1,0)
21.83	4.0706	8.7	(2,0,-1)
21.90	4.0593	2.8	(1,0,1)
21.90	4.0593	10.3	(1,1,0)
21.92	4.0556	6.6	(0,1,1)
28.35	3.1484	100.0	(2,1,-1)
28.40	3.1432	73.5	(1,-1,2)
28.40	3.1432	36.7	(1,2,-1)
33.64	2.6645	37.9	(3,0,-1)
33.70	2.6592	21.5	(2,1,0)
33.70	2.6592	10.7	(2,0,-3)
33.75	2.6561	18.7	(1,2,0)
33.75	2.6561	18.4	(1,2,-3)
33.76	2.6550	32.1	(0,2,1)
40.51	2.2269	13.9	(3,1,-1)
40.51	2.2269	7.0	(3,1,-3)
40.60	2.2220	22.2	(1,3,-1)
42.51	2.1265	6.3	(4,-1,-2)
42.65	2.1201	9.0	(2,1,1)
42.68	2.1185	15.0	(1,2,1)
44.52	2.0353	7.4	(4,0,-2)
44.65	2.0297	13.8	(2,2,0)
44.69	2.0278	6.3	(0,2,2)

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Energy Properties

Formation Energy/atom

-1.09800

eV/atom

Energy/atom

-46.51267

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-46.5127

eV/atom

Volume/atom

35.16

Å³

c/a Ratio

0.9963

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

47.1475

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.095780

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Eu · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8982

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.4677

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.880%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4259

smaller = more stable mixing

VEC

5.786

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8176

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmws

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295414

Reference Citation

The crystal structure and related material properties of SrEu7Bi6 were obtained from the Materials Project database (MP-ID: mp-3295414, 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_SrEu7Bi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63904277
_cell_length_b   8.60722743
_cell_length_c   8.60722686
_cell_angle_alpha   109.39621928
_cell_angle_beta   109.54611001
_cell_angle_gamma   109.54611993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrEu7Bi6
_chemical_formula_sum   'Sr1 Eu7 Bi6'
_cell_volume   492.22994072
_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  0.64488522  0.50000000  0.00000000  1.0
  Eu  Eu1  1  0.49948634  0.99908428  0.64415969  1.0
  Eu  Eu2  1  0.00040107  0.64507442  0.50091572  1.0
  Eu  Eu3  1  0.85532665  0.85584031  0.85492558  1.0
  Eu  Eu4  1  0.50001326  0.00026059  0.14385233  1.0
  Eu  Eu5  1  0.14419494  0.50000000  0.00000000  1.0
  Eu  Eu6  1  0.99975167  0.14359075  0.49973941  1.0
  Eu  Eu7  1  0.35616092  0.35614767  0.35640925  1.0
  Bi  Bi8  1  0.87732360  0.24812079  0.12641636  1.0
  Bi  Bi9  1  0.62476870  0.75285647  0.37910436  1.0
  Bi  Bi10  1  0.24566434  0.12089564  0.87375211  1.0
  Bi  Bi11  1  0.75090724  0.37358364  0.62170443  1.0
  Bi  Bi12  1  0.12920281  0.87829557  0.25187921  1.0
  Bi  Bi13  1  0.37191223  0.62624789  0.74714353  1.0

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