Eu7Au3

传统材料 TRA

MP-ID: mp-1106137 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Eu7Au3

MP-ID

mp-1106137

Elements

Sites

Density

7.9437

g/cm³

Volume

691.77

Å³

Cell a

10.8296

Cell b

10.8296

Cell c

6.8110

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
16.08	5.5110	26.4	(1,0,-1,1)
16.37	5.4148	9.1	(2,-1,-1,0)
18.92	4.6894	7.6	(2,0,-2,0)
23.03	3.8624	11.4	(2,0,-2,1)
25.12	3.5448	1.8	(3,-1,-2,0)
26.17	3.4055	6.9	(0,0,0,2)
27.87	3.2010	48.3	(1,0,-1,2)
28.38	3.1444	100.0	(3,-1,-2,1)
28.55	3.1262	29.7	(3,0,-3,0)
31.02	2.8828	16.7	(2,-1,-1,2)
31.49	2.8412	93.6	(3,0,-3,1)
32.49	2.7555	76.8	(2,0,-2,2)
33.09	2.7074	71.5	(4,-2,-2,0)
36.59	2.4558	29.7	(3,-1,-2,2)
36.99	2.4300	15.6	(4,-1,-3,1)
38.39	2.3447	5.2	(4,0,-4,0)
39.11	2.3030	12.9	(3,0,-3,2)
40.70	2.2170	16.7	(4,0,-4,1)
40.90	2.2066	4.0	(1,0,-1,3)
42.66	2.1193	5.6	(4,-2,-2,2)
44.14	2.0517	24.7	(5,-2,-3,1)
44.33	2.0434	21.4	(2,0,-2,3)
46.32	1.9600	23.2	(5,-1,-4,1)
47.06	1.9312	6.8	(4,0,-4,2)

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Energy Properties

Formation Energy/atom

-0.53483

eV/atom

Energy/atom

-8.71867

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-8.7187

eV/atom

Volume/atom

34.59

Å³

c/a Ratio

0.6289

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

102.1699

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.147690

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Eu · 0.700

Element Family

N/A

Solute Fraction

0.300

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.723

Family

Binary Alloy

Matrix Element

Eu · 0.700

Related Tasks

Related computation task IDs (2)

aaadcfrq aaadusvt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1106137

Reference Citation

The crystal structure and related material properties of Eu7Au3 were obtained from the Materials Project database (MP-ID: mp-1106137, 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_Eu7Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82958772
_cell_length_b   10.82958772
_cell_length_c   6.81095500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999830
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu7Au3
_chemical_formula_sum   'Eu14 Au6'
_cell_volume   691.77123141
_cell_formula_units_Z   2
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
  Eu  Eu0  1  0.66666700  0.33333300  0.53849700  1.0
  Eu  Eu1  1  0.33333300  0.66666700  0.03849700  1.0
  Eu  Eu2  1  0.87461900  0.74923700  0.74837800  1.0
  Eu  Eu3  1  0.25076300  0.12538100  0.74837800  1.0
  Eu  Eu4  1  0.87461900  0.12538100  0.74837800  1.0
  Eu  Eu5  1  0.12538100  0.25076300  0.24837800  1.0
  Eu  Eu6  1  0.74923700  0.87461900  0.24837800  1.0
  Eu  Eu7  1  0.12538100  0.87461900  0.24837800  1.0
  Eu  Eu8  1  0.46013300  0.92026500  0.54421200  1.0
  Eu  Eu9  1  0.07973500  0.53986700  0.54421200  1.0
  Eu  Eu10  1  0.46013300  0.53986700  0.54421200  1.0
  Eu  Eu11  1  0.53986700  0.07973500  0.04421200  1.0
  Eu  Eu12  1  0.92026500  0.46013300  0.04421200  1.0
  Eu  Eu13  1  0.53986700  0.46013300  0.04421200  1.0
  Au  Au14  1  0.18889400  0.37778800  0.80872800  1.0
  Au  Au15  1  0.62221200  0.81110600  0.80872800  1.0
  Au  Au16  1  0.18889400  0.81110600  0.80872800  1.0
  Au  Au17  1  0.81110600  0.62221200  0.30872800  1.0
  Au  Au18  1  0.37778800  0.18889400  0.30872800  1.0
  Au  Au19  1  0.81110600  0.18889400  0.30872800  1.0

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