Mg7Mn

传统材料 TRA

MP-ID: mp-1016282 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg7Mn

MP-ID

mp-1016282

Elements

Sites

Density

2.3158

g/cm³

Volume

161.39

Å³

Cell a

6.1632

Cell b

6.1632

Cell c

4.9060

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

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 20)

2θ	d (Å)	I	hkl
16.61	5.3375	13.7	(1,0,-1,0)
18.08	4.9060	2.6	(0,0,0,1)
24.65	3.6120	5.0	(1,0,-1,1)
28.98	3.0816	2.6	(2,-1,-1,0)
33.58	2.6688	25.6	(2,0,-2,0)
34.37	2.6095	2.9	(2,-1,-1,1)
36.63	2.4530	25.6	(0,0,0,2)
38.40	2.3443	100.0	(2,0,-2,1)
40.47	2.2289	2.7	(1,0,-1,2)
47.37	1.9192	1.2	(2,-1,-1,2)
48.81	1.8658	4.0	(3,-1,-2,1)
50.54	1.8060	15.2	(2,0,-2,2)
60.04	1.5408	16.3	(4,-2,-2,0)
67.13	1.3944	17.5	(2,0,-2,3)
70.58	1.3344	2.5	(4,0,-4,0)
72.43	1.3048	17.8	(4,-2,-2,2)
73.56	1.2876	12.7	(4,0,-4,1)
77.89	1.2265	2.4	(0,0,0,4)
82.25	1.1722	3.2	(4,0,-4,2)
87.54	1.1145	1.8	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.14106

eV/atom

Energy/atom

-2.43085

eV/atom

Energy above Hull

0.1411

eV/atom

Uncorrected Energy

-2.4309

eV/atom

Volume/atom

20.17

Å³

c/a Ratio

0.7960

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.5333

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.021890

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

N/A

Solute Fraction

0.125

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.813

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (2)

aaacfvok aaacfvtu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016282

Reference Citation

The crystal structure and related material properties of Mg7Mn were obtained from the Materials Project database (MP-ID: mp-1016282, 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_Mg7Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16320603
_cell_length_b   6.16320603
_cell_length_c   4.90602900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000033
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Mn
_chemical_formula_sum   'Mg7 Mn1'
_cell_volume   161.38906792
_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
  Mg  Mg0  1  0.83249800  0.66499700  0.50000000  1.0
  Mg  Mg1  1  0.33500300  0.16750200  0.50000000  1.0
  Mg  Mg2  1  0.83249800  0.16750200  0.50000000  1.0
  Mg  Mg3  1  0.48979500  0.51020500  0.00000000  1.0
  Mg  Mg4  1  0.02041100  0.51020500  0.00000000  1.0
  Mg  Mg5  1  0.48979500  0.97958900  0.00000000  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn7  1  0.33333300  0.66666700  0.50000000  1.0

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