YMg15

Traditional Materials TRA

MP-ID: mp-1023510 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

YMg15

MP-ID

mp-1023510

Elements

Sites

Density

2.0149

g/cm³

Volume

373.74

Å³

Cell a

6.4798

Cell b

6.4798

Cell c

10.2781

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
8.60	10.2781	16.7	(0,0,0,1)
15.79	5.6117	4.9	(1,-1,0,0)
15.79	5.6117	9.8	(1,0,-1,0)
17.26	5.1390	4.1	(0,0,0,2)
18.01	4.9254	21.0	(1,0,-1,1)
23.47	3.7899	12.1	(1,0,-1,2)
26.01	3.4260	1.9	(0,0,0,3)
27.53	3.2399	2.6	(2,-1,-1,0)
27.53	3.2399	1.3	(1,1,-2,0)
28.89	3.0900	7.8	(2,-1,-1,1)
30.57	2.9241	7.3	(1,0,-1,3)
31.90	2.8058	38.2	(2,0,-2,0)
32.67	2.7407	5.0	(2,-1,-1,2)
33.10	2.7068	5.0	(2,0,-2,1)
34.92	2.5695	37.3	(0,0,0,4)
36.49	2.4627	50.0	(2,-2,0,2)
36.49	2.4627	100.0	(2,0,-2,2)
38.23	2.3540	2.2	(2,-1,-1,3)
38.54	2.3363	3.1	(1,0,-1,4)
41.60	2.1708	1.5	(2,0,-2,3)
42.63	2.1210	1.7	(3,-1,-2,0)
43.57	2.0772	2.9	(3,-1,-2,1)
43.57	2.0772	1.4	(2,1,-3,1)
45.03	2.0132	1.3	(2,-1,-1,4)

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Energy Properties

Formation Energy/atom

0.02927

eV/atom

Energy/atom

-1.90611

eV/atom

Energy above Hull

0.0437

eV/atom

Uncorrected Energy

-5.1726

eV/atom

Volume/atom

23.36

Å³

c/a Ratio

1.5862

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 · 0.938

Element Family

N/A

Solute Fraction

0.063

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.856

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (2)

aaacggok aaaemcpy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023510

Reference Citation

The crystal structure and related material properties of YMg15 were obtained from the Materials Project database (MP-ID: mp-1023510, 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_YMg15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47979256
_cell_length_b   6.47979256
_cell_length_c   10.27805730
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000881
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg15
_chemical_formula_sum   'Y1 Mg15'
_cell_volume   373.73505396
_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
  Y  Y0  1  -0.00000000  -0.00000000  0.50000000  1.0
  Mg  Mg1  1  -0.00000000  -0.00000000  0.00000000  1.0
  Mg  Mg2  1  0.01019251  0.50509626  0.50000000  1.0
  Mg  Mg3  1  0.99862055  0.49931027  0.00000000  1.0
  Mg  Mg4  1  0.49490374  0.50509626  0.50000000  1.0
  Mg  Mg5  1  0.50068973  0.49931027  0.00000000  1.0
  Mg  Mg6  1  0.49490374  0.98980749  0.50000000  1.0
  Mg  Mg7  1  0.50068973  0.00137945  0.00000000  1.0
  Mg  Mg8  1  0.16732016  0.33464133  0.24523128  1.0
  Mg  Mg9  1  0.16732016  0.33464133  0.75476872  1.0
  Mg  Mg10  1  0.16732016  0.83267984  0.24523128  1.0
  Mg  Mg11  1  0.16732016  0.83267984  0.75476872  1.0
  Mg  Mg12  1  0.66535867  0.83267984  0.24523128  1.0
  Mg  Mg13  1  0.66535867  0.83267984  0.75476872  1.0
  Mg  Mg14  1  0.66666700  0.33333300  0.25660041  1.0
  Mg  Mg15  1  0.66666700  0.33333300  0.74339959  1.0

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