CeMg15

Traditional Materials TRA

MP-ID: mp-1023633 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg15

MP-ID

mp-1023633

Elements

Sites

Density

2.2132

g/cm³

Volume

378.66

Å³

Cell a

6.5306

Cell b

6.5305

Cell c

10.2523

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
8.62	10.2523	80.4	(0,0,0,1)
15.67	5.6557	23.6	(1,-1,0,0)
15.67	5.6556	23.6	(1,0,-1,0)
15.67	5.6556	23.6	(0,1,-1,0)
17.30	5.1261	19.5	(0,0,0,2)
17.91	4.9521	33.6	(1,-1,0,1)
17.91	4.9521	33.6	(1,0,-1,1)
17.91	4.9521	33.6	(0,1,-1,1)
23.42	3.7982	19.1	(1,-1,0,2)
23.42	3.7982	19.1	(1,0,-1,2)
23.42	3.7981	19.1	(0,1,-1,2)
26.07	3.4174	8.3	(0,0,0,3)
27.31	3.2653	6.5	(2,-1,-1,0)
27.31	3.2653	6.5	(1,-2,1,0)
27.31	3.2653	6.5	(1,1,-2,0)
28.69	3.1113	12.7	(2,-1,-1,1)
28.69	3.1113	12.7	(1,-2,1,1)
28.69	3.1113	12.7	(1,1,-2,1)
30.56	2.9249	11.5	(1,-1,0,3)
30.56	2.9249	11.5	(1,0,-1,3)
30.56	2.9249	11.5	(0,1,-1,3)
31.64	2.8278	27.3	(2,-2,0,0)
31.64	2.8278	27.3	(2,0,-2,0)
31.64	2.8278	27.3	(0,2,-2,0)

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Energy Properties

Formation Energy/atom

0.04576

eV/atom

Energy/atom

-5.79050

eV/atom

Energy above Hull

0.0746

eV/atom

Uncorrected Energy

-5.7905

eV/atom

Volume/atom

23.67

Å³

c/a Ratio

1.5699

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0987

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.002900

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.938

Element Family

N/A

Solute Fraction

0.063

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.835

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (1)

aaaekrss

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023633

Reference Citation

The crystal structure and related material properties of CeMg15 were obtained from the Materials Project database (MP-ID: mp-1023633, 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_CeMg15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53060327
_cell_length_b   6.53053612
_cell_length_c   10.25227190
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00071376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg15
_chemical_formula_sum   'Ce1 Mg15'
_cell_volume   378.66028786
_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  0.16665913  0.33332127  0.12500000  1.0
  Mg  Mg1  1  0.16666861  0.33333622  0.62500000  1.0
  Mg  Mg2  1  0.18036749  0.84016962  0.12500000  1.0
  Mg  Mg3  1  0.16159506  0.83079397  0.62500000  1.0
  Mg  Mg4  1  0.65983064  0.31966229  0.12500000  1.0
  Mg  Mg5  1  0.66921489  0.33842979  0.62500000  1.0
  Mg  Mg6  1  0.65980413  0.84017162  0.12500000  1.0
  Mg  Mg7  1  0.66919890  0.83079297  0.62500000  1.0
  Mg  Mg8  1  0.33388654  0.16609896  0.38134278  1.0
  Mg  Mg9  1  0.33388654  0.16609896  0.86865722  1.0
  Mg  Mg10  1  0.33389989  0.66779877  0.38133981  1.0
  Mg  Mg11  1  0.33389989  0.66779877  0.86866019  1.0
  Mg  Mg12  1  0.83221342  0.16609796  0.38134178  1.0
  Mg  Mg13  1  0.83221342  0.16609796  0.86865822  1.0
  Mg  Mg14  1  0.83333072  0.66666444  0.36390097  1.0
  Mg  Mg15  1  0.83333072  0.66666444  0.88609903  1.0

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