Eu(MgBi)2

高熵材料 HEA 传统材料 TRA 弹性数据 ELA

MP-ID: mp-1006146 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

Eu(MgBi)2

MP-ID

mp-1006146

Elements

Sites

Density

6.5139

g/cm³

Volume

157.68

Å³

Cell a

4.8133

Cell b

4.8133

Cell c

7.8588

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

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
11.26	7.8588	9.6	(0,0,0,1)
21.32	4.1684	1.1	(1,-1,0,0)
21.32	4.1684	2.1	(1,0,-1,0)
22.63	3.9294	10.1	(0,0,0,2)
24.17	3.6825	100.0	(1,0,-1,1)
31.28	2.8593	17.5	(1,-1,0,2)
31.28	2.8593	35.0	(1,0,-1,2)
34.23	2.6196	1.8	(0,0,0,3)
37.37	2.4067	31.5	(2,-1,-1,0)
37.37	2.4067	15.7	(1,1,-2,0)
39.15	2.3012	2.1	(2,-1,-1,1)
39.15	2.3012	1.0	(1,1,-2,1)
40.68	2.2180	33.0	(1,0,-1,3)
44.13	2.0523	11.1	(2,-1,-1,2)
45.00	2.0146	20.0	(2,0,-2,1)
46.21	1.9647	6.1	(0,0,0,4)
49.50	1.8412	14.9	(2,0,-2,2)
51.57	1.7723	2.2	(2,-1,-1,3)
51.57	1.7723	1.1	(1,1,-2,3)
56.42	1.6310	12.9	(2,0,-2,3)
59.87	1.5448	11.6	(3,-1,-2,1)
59.87	1.5448	5.8	(2,1,-3,1)
60.87	1.5220	16.4	(2,-1,-1,4)
63.23	1.4707	9.4	(1,0,-1,5)

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Energy Properties

Formation Energy/atom

-0.53714

eV/atom

Energy/atom

-4.80297

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.4796

eV/atom

Volume/atom

31.54

Å³

c/a Ratio

1.6327

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.044390

μB/Å³

Elastic Properties

K_VRH

32.630

GPa

G_VRH

22.291

GPa

Young's Modulus E

54.469

GPa

Poisson Ratio ν

0.222

Pugh Ratio K/G

1.464

Vickers Hardness Est.

4.872

GPa

Ductility

Ductile

Anisotropy

0.378

Lame λ

17.769

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.400

Element Family

Alkali-AlkEarth

Solute Fraction

0.600

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3780

Homogeneous Poisson ν

0.2220

Debye Temperature

211.9

Sound Velocity

2,047.1

m/s

Homogeneity

0.2220

Related Tasks

Related computation task IDs (3)

aaaciudi aaadsxzy aaaemczm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1006146

Reference Citation

The crystal structure and related material properties of Eu(MgBi)2 were obtained from the Materials Project database (MP-ID: mp-1006146, 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_Eu(MgBi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81330408
_cell_length_b   4.81330408
_cell_length_c   7.85879912
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu(MgBi)2
_chemical_formula_sum   'Eu1 Mg2 Bi2'
_cell_volume   157.67882608
_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
  Eu  Eu0  1  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.63047278  1.0
  Mg  Mg2  1  0.33333300  0.66666700  0.36952722  1.0
  Bi  Bi3  1  0.66666700  0.33333300  0.24897871  1.0
  Bi  Bi4  1  0.33333300  0.66666700  0.75102129  1.0

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