CeMg7

传统材料 TRA

MP-ID: mp-1016346 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg7

MP-ID

mp-1016346

Elements

Sites

Density

2.5034

g/cm³

Volume

205.79

Å³

Cell a

6.7554

Cell b

6.7554

Cell c

5.2072

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
15.14	5.8503	59.9	(1,0,-1,0)
17.03	5.2072	16.0	(0,0,0,1)
22.86	3.8896	50.1	(1,0,-1,1)
26.39	3.3777	17.1	(2,-1,-1,0)
30.56	2.9252	32.2	(2,0,-2,0)
31.57	2.8337	14.3	(2,-1,-1,1)
31.57	2.8337	7.2	(1,1,-2,1)
34.45	2.6036	22.7	(0,0,0,2)
35.19	2.5503	100.0	(2,0,-2,1)
37.82	2.3787	12.8	(1,0,-1,2)
40.81	2.2112	11.5	(3,-1,-2,0)
43.91	2.0621	8.8	(2,-1,-1,2)
44.52	2.0353	5.2	(3,-2,-1,1)
44.52	2.0353	10.5	(3,-1,-2,1)
46.57	1.9501	3.7	(3,0,-3,0)
46.71	1.9448	6.5	(2,-2,0,2)
46.71	1.9448	13.1	(2,0,-2,2)
49.94	1.8262	6.1	(3,0,-3,1)
54.32	1.6888	17.8	(4,-2,-2,0)
54.44	1.6854	10.0	(3,-1,-2,2)
55.20	1.6640	4.6	(1,0,-1,3)
56.73	1.6226	4.0	(4,-1,-3,0)
57.36	1.6065	4.0	(4,-2,-2,1)
59.20	1.5608	3.6	(3,0,-3,2)

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Energy Properties

Formation Energy/atom

0.04774

eV/atom

Energy/atom

-7.45548

eV/atom

Energy above Hull

0.0885

eV/atom

Uncorrected Energy

-2.0675

eV/atom

Volume/atom

25.72

Å³

c/a Ratio

0.7708

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.3109

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.006370

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

N/A

Solute Fraction

0.125

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.849

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (2)

aaacfvry aaacfvwc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016346

Reference Citation

The crystal structure and related material properties of CeMg7 were obtained from the Materials Project database (MP-ID: mp-1016346, 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_CeMg7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75535248
_cell_length_b   6.75535248
_cell_length_c   5.20717200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000472
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg7
_chemical_formula_sum   'Ce1 Mg7'
_cell_volume   205.79203586
_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
  Ce  Ce0  1  0.66666700  0.33333300  0.00000000  1.0
  Mg  Mg1  1  0.17064700  0.34129500  0.00000000  1.0
  Mg  Mg2  1  0.17064700  0.82935300  0.00000000  1.0
  Mg  Mg3  1  0.65870500  0.82935300  0.00000000  1.0
  Mg  Mg4  1  0.00700100  0.50350000  0.50000000  1.0
  Mg  Mg5  1  0.49650000  0.50350000  0.50000000  1.0
  Mg  Mg6  1  0.49650000  0.99299900  0.50000000  1.0
  Mg  Mg7  1  0.00000000  0.00000000  0.50000000  1.0

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