Mg7Cr

Traditional Materials TRA

MP-ID: mp-1016326 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg7Cr

MP-ID

mp-1016326

Elements

Sites

Density

2.1218

g/cm³

Volume

173.85

Å³

Cell a

6.2919

Cell b

6.2919

Cell c

5.0707

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 19)

2θ	d (Å)	I	hkl
16.27	5.4490	9.4	(1,0,-1,0)
17.49	5.0707	2.3	(0,0,0,1)
23.97	3.7121	5.8	(1,0,-1,1)
28.37	3.1460	2.1	(2,-1,-1,0)
32.87	2.7245	25.1	(2,0,-2,0)
33.52	2.6733	1.8	(2,-1,-1,1)
35.40	2.5353	26.1	(0,0,0,2)
37.47	2.4000	100.0	(2,0,-2,1)
39.19	2.2987	1.9	(1,0,-1,2)
47.66	1.9081	2.2	(3,-1,-2,1)
49.08	1.8560	15.3	(2,0,-2,2)
58.69	1.5730	16.6	(4,-2,-2,0)
64.92	1.4363	18.0	(2,0,-2,3)
68.93	1.3622	2.5	(4,0,-4,0)
70.45	1.3366	18.3	(4,-2,-2,2)
71.75	1.3156	13.0	(4,0,-4,1)
74.91	1.2677	2.5	(0,0,0,4)
79.95	1.2000	3.2	(4,0,-4,2)
84.25	1.1494	2.8	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.16355

eV/atom

Energy/atom

-2.46974

eV/atom

Energy above Hull

0.1636

eV/atom

Uncorrected Energy

-2.4697

eV/atom

Volume/atom

21.73

Å³

c/a Ratio

0.8059

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.2728

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.024580

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

0.753

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (2)

aaacfvpu aaacfvuc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016326

Reference Citation

The crystal structure and related material properties of Mg7Cr were obtained from the Materials Project database (MP-ID: mp-1016326, 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_Mg7Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29191232
_cell_length_b   6.29191232
_cell_length_c   5.07068900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000337
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Cr
_chemical_formula_sum   'Mg7 Cr1'
_cell_volume   173.84528475
_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  0.83286600  0.66573200  0.50000000  1.0
  Mg  Mg1  1  0.33426800  0.16713400  0.50000000  1.0
  Mg  Mg2  1  0.83286600  0.16713400  0.50000000  1.0
  Mg  Mg3  1  0.49669500  0.50330500  0.00000000  1.0
  Mg  Mg4  1  0.00661000  0.50330500  0.00000000  1.0
  Mg  Mg5  1  0.49669500  0.99339000  0.00000000  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr7  1  0.33333300  0.66666700  0.50000000  1.0

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