Mg15Nb

传统材料 TRA

MP-ID: mp-1023502 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg15Nb

MP-ID

mp-1023502

Elements

Sites

Density

2.1496

g/cm³

Volume

353.41

Å³

Cell a

6.3540

Cell b

6.3540

Cell c

10.1076

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
8.75	10.1076	16.0	(0,0,0,1)
16.11	5.5027	13.1	(1,0,-1,0)
17.55	5.0538	3.2	(0,0,0,2)
18.36	4.8329	17.4	(1,0,-1,1)
23.91	3.7222	7.9	(1,0,-1,2)
28.09	3.1770	3.0	(2,-1,-1,0)
29.47	3.0308	5.0	(2,-1,-1,1)
31.13	2.8734	4.2	(1,0,-1,3)
32.54	2.7514	25.6	(2,0,-2,0)
33.31	2.6897	3.7	(2,-1,-1,2)
33.76	2.6548	3.4	(2,0,-2,1)
35.53	2.5269	25.1	(0,0,0,4)
37.21	2.4165	100.0	(2,0,-2,2)
38.97	2.3114	2.8	(2,-1,-1,3)
39.23	2.2964	2.7	(1,0,-1,4)
42.42	2.1311	2.3	(2,0,-2,3)
43.51	2.0798	1.3	(3,-1,-2,0)
44.47	2.0372	3.4	(3,-1,-2,1)
45.89	1.9776	1.5	(2,-1,-1,4)
47.26	1.9233	3.6	(3,-1,-2,2)
47.94	1.8975	1.5	(1,0,-1,5)
48.94	1.8611	15.6	(2,0,-2,4)
51.65	1.7698	2.1	(3,-1,-2,3)
53.12	1.7242	1.0	(3,0,-3,2)

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Energy Properties

Formation Energy/atom

0.09908

eV/atom

Energy/atom

-2.06082

eV/atom

Energy above Hull

0.0991

eV/atom

Uncorrected Energy

-2.0608

eV/atom

Volume/atom

22.09

Å³

c/a Ratio

1.5907

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0046

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

0.774

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (2)

aaacggjx aaacggnt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023502

Reference Citation

The crystal structure and related material properties of Mg15Nb were obtained from the Materials Project database (MP-ID: mp-1023502, 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_Mg15Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35400993
_cell_length_b   6.35400993
_cell_length_c   10.10757400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999932
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15Nb
_chemical_formula_sum   'Mg15 Nb1'
_cell_volume   353.40553189
_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  0.00216900  0.50108500  0.50000000  1.0
  Mg  Mg2  1  0.00038900  0.50019400  0.00000000  1.0
  Mg  Mg3  1  0.49891500  0.50108500  0.50000000  1.0
  Mg  Mg4  1  0.49980600  0.50019400  0.00000000  1.0
  Mg  Mg5  1  0.49891500  0.99783100  0.50000000  1.0
  Mg  Mg6  1  0.49980600  0.99961100  0.00000000  1.0
  Mg  Mg7  1  0.16249300  0.32498500  0.25456700  1.0
  Mg  Mg8  1  0.16249300  0.32498500  0.74543300  1.0
  Mg  Mg9  1  0.16249300  0.83750700  0.25456700  1.0
  Mg  Mg10  1  0.16249300  0.83750700  0.74543300  1.0
  Mg  Mg11  1  0.67501500  0.83750700  0.25456700  1.0
  Mg  Mg12  1  0.67501500  0.83750700  0.74543300  1.0
  Mg  Mg13  1  0.66666700  0.33333300  0.25001500  1.0
  Mg  Mg14  1  0.66666700  0.33333300  0.74998500  1.0
  Nb  Nb15  1  0.00000000  0.00000000  0.50000000  1.0

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