Mn2Au5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30410 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Mn2Au5

MP-ID

mp-30410

Elements

Sites

Density

15.3963

g/cm³

Volume

118.07

Å³

Cell a

3.9128

Cell b

5.0249

Cell c

6.5702

α Angle

96.56

β Angle

90.00

γ Angle

112.91

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

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
13.58	6.5194	1.6	(0,0,1)
19.33	4.5927	4.7	(0,1,0)
22.25	3.9951	8.3	(0,1,-1)
24.73	3.5998	17.0	(1,-1,0)
25.06	3.5529	4.2	(0,1,1)
27.36	3.2597	6.5	(0,0,2)
27.72	3.2182	7.7	(1,-1,1)
35.70	2.5151	3.6	(0,1,2)
36.27	2.4769	1.7	(1,-1,2)
37.29	2.4113	1.0	(1,-2,0)
38.13	2.3599	100.0	(1,-1,-2)
38.52	2.3371	48.3	(1,-2,1)
38.52	2.3371	48.3	(1,1,-1)
39.98	2.2554	3.1	(0,2,-1)
41.16	2.1930	3.6	(1,-2,-1)
41.56	2.1731	1.6	(0,0,3)
43.37	2.0864	34.6	(0,2,1)
43.82	2.0659	33.6	(0,1,-3)
45.40	1.9976	1.7	(0,2,-2)
46.41	1.9564	28.7	(2,-1,0)
47.83	1.9018	1.3	(1,-1,3)
47.83	1.9018	1.3	(1,0,-3)
52.05	1.7570	1.9	(2,-2,1)
53.47	1.7138	1.2	(2,-2,-1)

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Energy Properties

Formation Energy/atom

-0.30084

eV/atom

Energy/atom

-40.62819

eV/atom

Energy above Hull

0.0144

eV/atom

Uncorrected Energy

-40.6282

eV/atom

Volume/atom

16.87

Å³

c/a Ratio

1.6792

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.8076

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.074600

μB/Å³

Elastic Properties

K_VRH

127.572

GPa

G_VRH

32.116

GPa

Young's Modulus E

88.889

GPa

Poisson Ratio ν

0.384

Pugh Ratio K/G

3.972

Vickers Hardness Est.

0.031

GPa

Ductility

Brittle

Anisotropy

1.806

Lame λ

106.161

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Au · 0.714

Element Family

N/A

Solute Fraction

0.286

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.878

Family

Binary Alloy

Matrix Element

Au · 0.714

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.8060

Homogeneous Poisson ν

0.3840

Debye Temperature

189.3

Sound Velocity

1,631.3

m/s

Homogeneity

0.3840

Related Tasks

Related computation task IDs (5)

aaadmrfl aaadrcja aaaekwwq aaaeukrw aaafilha

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30410

Reference Citation

The crystal structure and related material properties of Mn2Au5 were obtained from the Materials Project database (MP-ID: mp-30410, 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_Mn2Au5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91278441
_cell_length_b   5.02494166
_cell_length_c   6.57014906
_cell_angle_alpha   96.55946151
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.91321503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Au5
_chemical_formula_sum   'Mn2 Au5'
_cell_volume   118.06767273
_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
  Mn  Mn0  1  0.57714323  0.15428646  0.71901072  1.0
  Mn  Mn1  1  0.42285677  0.84571354  0.28098928  1.0
  Au  Au2  1  0.86324060  0.72648021  0.56733118  1.0
  Au  Au3  1  0.71259689  0.42519379  0.14445119  1.0
  Au  Au4  1  0.28740311  0.57480621  0.85554881  1.0
  Au  Au5  1  0.13675940  0.27351979  0.43266882  1.0
  Au  Au6  1  0.00000000  0.00000000  0.00000000  1.0

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