Mg15Co

传统材料 TRA

MP-ID: mp-1023624 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg15Co

MP-ID

mp-1023624

Elements

Sites

Density

2.0552

g/cm³

Volume

342.18

Å³

Cell a

6.2950

Cell b

6.2950

Cell c

9.9708

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 24)

2θ	d (Å)	I	hkl
8.87	9.9708	8.5	(0,0,0,1)
16.26	5.4516	5.6	(1,0,-1,0)
17.79	4.9854	1.2	(0,0,0,2)
18.55	4.7834	6.7	(1,0,-1,1)
24.19	3.6790	1.9	(1,0,-1,2)
28.36	3.1475	1.0	(2,-1,-1,0)
29.77	3.0015	1.2	(2,-1,-1,1)
32.86	2.7258	25.1	(2,0,-2,0)
33.68	2.6615	1.1	(2,-1,-1,2)
36.03	2.4927	24.3	(0,0,0,4)
37.61	2.3917	100.0	(2,0,-2,2)
39.43	2.2854	1.7	(2,-1,-1,3)
39.76	2.2670	1.1	(1,0,-1,4)
42.91	2.1077	1.9	(2,0,-2,3)
44.92	2.0179	1.2	(3,-1,-2,1)
47.76	1.9043	1.8	(3,-1,-2,2)
48.62	1.8728	1.0	(1,0,-1,5)
49.55	1.8395	14.6	(2,0,-2,4)
58.66	1.5738	17.1	(4,-2,-2,0)
65.82	1.4189	16.2	(2,0,-2,6)
68.89	1.3629	2.6	(4,0,-4,0)
70.81	1.3307	17.8	(4,-2,-2,4)
71.80	1.3147	13.2	(4,0,-4,2)
76.42	1.2464	2.1	(0,0,0,8)

Get direct link

Energy Properties

Formation Energy/atom

0.06563

eV/atom

Energy/atom

-4.67023

eV/atom

Energy above Hull

0.0656

eV/atom

Uncorrected Energy

-1.8820

eV/atom

Volume/atom

21.39

Å³

c/a Ratio

1.5839

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6572

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001920

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.938

Element Family

N/A

Solute Fraction

0.063

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.796

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (1)

aaacggmh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023624

Reference Citation

The crystal structure and related material properties of Mg15Co were obtained from the Materials Project database (MP-ID: mp-1023624, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Mg15Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29501620
_cell_length_b   6.29501620
_cell_length_c   9.97083100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15Co
_chemical_formula_sum   'Mg15 Co1'
_cell_volume   342.18083489
_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  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.99545100  0.49772500  0.50000000  1.0
  Mg  Mg2  1  0.00406600  0.50203300  0.00000000  1.0
  Mg  Mg3  1  0.50227500  0.49772500  0.50000000  1.0
  Mg  Mg4  1  0.49796700  0.50203300  0.00000000  1.0
  Mg  Mg5  1  0.50227500  0.00454900  0.50000000  1.0
  Mg  Mg6  1  0.49796700  0.99593400  0.00000000  1.0
  Mg  Mg7  1  0.15954800  0.31909600  0.26454400  1.0
  Mg  Mg8  1  0.15954800  0.31909600  0.73545600  1.0
  Mg  Mg9  1  0.15954800  0.84045200  0.26454400  1.0
  Mg  Mg10  1  0.15954800  0.84045200  0.73545600  1.0
  Mg  Mg11  1  0.68090400  0.84045200  0.26454400  1.0
  Mg  Mg12  1  0.68090400  0.84045200  0.73545600  1.0
  Mg  Mg13  1  0.66666700  0.33333300  0.24606200  1.0
  Mg  Mg14  1  0.66666700  0.33333300  0.75393800  1.0
  Co  Co15  1  0.00000000  0.00000000  0.50000000  1.0

Get direct link