Sr6Mg23

传统材料 TRA

MP-ID: mp-30782 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Sr6Mg23

MP-ID

mp-30782

Elements

Sites

Density

2.1948

g/cm³

Volume

820.69

Å³

Cell a

10.5091

Cell b

10.5091

Cell c

10.5091

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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
10.31	8.5807	2.9	(1,1,1)
10.31	8.5806	8.8	(1,0,0)
11.91	7.4311	6.7	(1,1,0)
16.87	5.2546	6.4	(2,1,1)
16.87	5.2545	6.4	(1,0,-1)
19.81	4.4811	1.3	(2,1,0)
20.70	4.2903	20.3	(2,2,2)
20.70	4.2903	60.8	(2,0,0)
23.95	3.7155	52.3	(2,2,0)
26.14	3.4096	15.8	(3,2,2)
26.14	3.4096	5.3	(3,1,1)
26.14	3.4096	10.5	(1,3,1)
26.14	3.4096	31.5	(2,0,-1)
26.83	3.3233	8.6	(3,2,1)
26.83	3.3233	1.4	(2,-1,1)
26.83	3.3233	7.2	(2,1,-1)
29.44	3.0337	19.1	(3,3,2)
29.44	3.0337	38.3	(3,1,0)
29.44	3.0337	19.1	(2,-1,-1)
31.27	2.8602	22.7	(3,3,3)
31.27	2.8602	28.2	(3,3,1)
31.27	2.8602	56.5	(3,2,0)
31.27	2.8602	96.5	(3,0,0)
34.13	2.6273	100.0	(4,2,2)

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Energy Properties

Formation Energy/atom

-0.07009

eV/atom

Energy/atom

-6.51037

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-6.5104

eV/atom

Volume/atom

28.30

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.3339

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000410

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.793

Element Family

N/A

Solute Fraction

0.207

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.853

Family

Mg-based Alloy

Matrix Element

Mg · 0.793

Related Tasks

Related computation task IDs (2)

aaacbplr aaaekvye

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30782

Reference Citation

The crystal structure and related material properties of Sr6Mg23 were obtained from the Materials Project database (MP-ID: mp-30782, 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_Sr6Mg23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.50909801
_cell_length_b   10.50909711
_cell_length_c   10.50909749
_cell_angle_alpha   59.99985776
_cell_angle_beta   59.99985592
_cell_angle_gamma   59.99985936
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr6Mg23
_chemical_formula_sum   'Sr6 Mg23'
_cell_volume   820.69137547
_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
  Sr  Sr0  1  0.79321712  0.20678288  0.20678288  1.0
  Sr  Sr1  1  0.79321712  0.79321712  0.20678288  1.0
  Sr  Sr2  1  0.20678288  0.20678288  0.79321712  1.0
  Sr  Sr3  1  0.79321712  0.20678288  0.79321712  1.0
  Sr  Sr4  1  0.20678288  0.79321712  0.20678288  1.0
  Sr  Sr5  1  0.20678288  0.79321712  0.79321712  1.0
  Mg  Mg6  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg7  1  0.50000000  -0.00000000  0.00000000  1.0
  Mg  Mg8  1  0.00000000  -0.00000000  0.50000000  1.0
  Mg  Mg9  1  0.50000000  0.50000000  0.00000000  1.0
  Mg  Mg10  1  0.00000000  0.50000000  0.50000000  1.0
  Mg  Mg11  1  0.00000000  0.50000000  0.00000000  1.0
  Mg  Mg12  1  0.50000000  -0.00000000  0.50000000  1.0
  Mg  Mg13  1  0.37777367  0.37777367  0.37777367  1.0
  Mg  Mg14  1  0.62222533  0.62222533  0.13332402  1.0
  Mg  Mg15  1  0.13332402  0.62222533  0.62222533  1.0
  Mg  Mg16  1  0.62222533  0.13332402  0.62222533  1.0
  Mg  Mg17  1  0.86667598  0.37777467  0.37777467  1.0
  Mg  Mg18  1  0.37777467  0.86667598  0.37777467  1.0
  Mg  Mg19  1  0.37777467  0.37777467  0.86667598  1.0
  Mg  Mg20  1  0.62222633  0.62222633  0.62222633  1.0
  Mg  Mg21  1  0.17455460  0.17455460  0.17455460  1.0
  Mg  Mg22  1  0.82544540  0.82544440  0.52366781  1.0
  Mg  Mg23  1  0.52366781  0.82544540  0.82544540  1.0
  Mg  Mg24  1  0.82544540  0.52366781  0.82544440  1.0
  Mg  Mg25  1  0.47633219  0.17455460  0.17455460  1.0
  Mg  Mg26  1  0.17455460  0.47633219  0.17455460  1.0
  Mg  Mg27  1  0.17455460  0.17455460  0.47633219  1.0
  Mg  Mg28  1  0.82544540  0.82544540  0.82544540  1.0

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