AcMg3

Traditional Materials TRA

MP-ID: mp-1183237 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

AcMg3

MP-ID

mp-1183237

Elements

Sites

Density

4.1722

g/cm³

Volume

238.73

Å³

Cell a

7.2547

Cell b

7.2547

Cell c

5.2377

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

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
14.10	6.2828	33.4	(1,0,-1,0)
22.10	4.0231	100.0	(1,0,-1,1)
24.54	3.6274	33.4	(2,-1,-1,0)
24.54	3.6274	16.7	(1,1,-2,0)
28.41	3.1414	19.6	(2,0,-2,0)
33.26	2.6940	26.2	(2,-2,0,1)
33.26	2.6940	52.4	(2,0,-2,1)
34.24	2.6189	16.6	(0,0,0,2)
37.20	2.4173	6.9	(1,0,-1,2)
37.89	2.3747	11.7	(3,-1,-2,0)
41.76	2.1628	11.1	(3,-2,-1,1)
41.76	2.1628	22.2	(3,-1,-2,1)
42.58	2.1233	24.3	(2,-1,-1,2)
43.20	2.0943	3.7	(3,-3,0,0)
43.20	2.0943	7.4	(3,0,-3,0)
45.07	2.0115	3.8	(2,-2,0,2)
45.07	2.0115	7.5	(2,0,-2,2)
50.31	1.8137	15.7	(4,-2,-2,0)
51.98	1.7592	9.6	(3,-1,-2,2)
52.52	1.7425	1.0	(4,-3,-1,0)
52.52	1.7425	2.0	(4,-1,-3,0)
54.55	1.6822	9.3	(1,0,-1,3)
55.58	1.6534	13.0	(4,-1,-3,1)
55.58	1.6534	6.5	(3,1,-4,1)

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Energy Properties

Formation Energy/atom

-0.01433

eV/atom

Energy/atom

-2.26748

eV/atom

Energy above Hull

0.0275

eV/atom

Uncorrected Energy

-20.3170

eV/atom

Volume/atom

29.84

Å³

c/a Ratio

0.7220

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.788

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (1)

aaaekxaz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183237

Reference Citation

The crystal structure and related material properties of AcMg3 were obtained from the Materials Project database (MP-ID: mp-1183237, 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_AcMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25469384
_cell_length_b   7.25469384
_cell_length_c   5.23773188
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000472
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcMg3
_chemical_formula_sum   'Ac2 Mg6'
_cell_volume   238.73277833
_cell_formula_units_Z   2
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
  Ac  Ac0  1  0.66666700  0.33333300  0.25000000  1.0
  Ac  Ac1  1  0.33333300  0.66666700  0.75000000  1.0
  Mg  Mg2  1  0.14897507  0.29795115  0.25000000  1.0
  Mg  Mg3  1  0.14897507  0.85102493  0.25000000  1.0
  Mg  Mg4  1  0.70204885  0.85102493  0.25000000  1.0
  Mg  Mg5  1  0.29795115  0.14897507  0.75000000  1.0
  Mg  Mg6  1  0.85102493  0.14897507  0.75000000  1.0
  Mg  Mg7  1  0.85102493  0.70204885  0.75000000  1.0

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