NaMg7

Traditional Materials TRA

MP-ID: mp-1016323 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

NaMg7

MP-ID

mp-1016323

Elements

Sites

Density

1.6776

g/cm³

Volume

191.17

Å³

Cell a

6.4539

Cell b

6.4539

Cell c

5.2996

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 21)

2θ	d (Å)	I	hkl
32.03	2.7946	35.6	(2,0,-2,0)
33.83	2.6498	40.8	(0,0,0,2)
36.34	2.4720	100.0	(2,0,-2,1)
36.34	2.4720	50.0	(2,-2,0,1)
47.27	1.9228	23.0	(2,0,-2,2)
57.08	1.6135	8.5	(2,2,-4,0)
57.08	1.6135	16.9	(4,-2,-2,0)
62.17	1.4932	19.3	(2,0,-2,3)
62.17	1.4932	9.6	(2,-2,0,3)
66.97	1.3973	2.5	(4,0,-4,0)
66.97	1.3973	1.3	(4,-4,0,0)
68.03	1.3781	9.6	(2,2,-4,2)
68.03	1.3781	19.2	(4,-2,-2,2)
69.58	1.3511	13.4	(4,0,-4,1)
69.58	1.3511	6.7	(4,-4,0,1)
71.16	1.3249	4.1	(0,0,0,4)
77.18	1.2360	3.2	(4,0,-4,2)
77.18	1.2360	1.6	(4,-4,0,2)
80.17	1.1972	4.3	(2,0,-2,4)
89.41	1.0959	6.3	(4,0,-4,3)
89.41	1.0959	3.2	(4,-4,0,3)

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Energy Properties

Formation Energy/atom

0.07461

eV/atom

Energy/atom

-4.01906

eV/atom

Energy above Hull

0.0746

eV/atom

Uncorrected Energy

-1.5119

eV/atom

Volume/atom

23.90

Å³

c/a Ratio

0.8212

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0015

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

0.733

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (2)

aaacfvpp aaacfvwk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016323

Reference Citation

The crystal structure and related material properties of NaMg7 were obtained from the Materials Project database (MP-ID: mp-1016323, 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_NaMg7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45385492
_cell_length_b   6.45385492
_cell_length_c   5.29958900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998892
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg7
_chemical_formula_sum   'Na1 Mg7'
_cell_volume   191.16627022
_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
  Na  Na0  1  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.00071100  0.50035600  0.00000000  1.0
  Mg  Mg2  1  0.49964400  0.50035600  0.00000000  1.0
  Mg  Mg3  1  0.49964400  0.99928900  0.00000000  1.0
  Mg  Mg4  1  0.16737000  0.33474000  0.50000000  1.0
  Mg  Mg5  1  0.16737000  0.83263000  0.50000000  1.0
  Mg  Mg6  1  0.66526000  0.83263000  0.50000000  1.0
  Mg  Mg7  1  0.66666700  0.33333300  0.50000000  1.0

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