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YMg5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-981252 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula
YMg5
MP-ID
mp-981252
Elements
2
Sites
6
Density
2.3844
g/cm³
Volume
146.55
ų
Cell a
6.2301
Å
Cell b
6.2301
Å
Cell c
7.0335
Å
α Angle
72.95
°
β Angle
72.95
°
γ Angle
34.33
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
13.23 6.6941 37.0 (0,0,1)
15.64 5.6653 22.7 (1,1,0)
17.12 5.1785 25.0 (1,1,1)
23.48 3.7890 12.8 (1,1,-1)
25.46 3.4981 21.6 (1,0,0)
26.45 3.3700 9.8 (1,1,2)
26.63 3.3471 9.8 (0,0,2)
27.63 3.2284 18.2 (1,0,1)
29.92 2.9864 12.3 (1,0,-1)
30.25 2.9543 7.6 (2,2,1)
31.59 2.8326 8.8 (2,2,0)
33.79 2.6530 6.8 (2,1,1)
34.02 2.6349 100.0 (2,1,0)
34.64 2.5893 47.1 (2,2,2)
35.08 2.5583 45.8 (1,1,-2)
35.31 2.5416 90.4 (1,0,2)
38.11 2.3616 3.2 (2,2,-1)
38.56 2.3348 4.8 (1,1,3)
38.70 2.3265 4.8 (2,1,2)
38.97 2.3115 4.5 (1,0,-2)
39.34 2.2904 5.5 (2,1,-1)
40.42 2.2314 2.6 (0,0,3)
43.24 2.0926 1.1 (2,2,3)
45.39 1.9979 4.1 (3,2,1)
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Energy Properties

Formation Energy/atom
0.01421
eV/atom
Energy/atom
-2.42936
eV/atom
Energy above Hull
0.0525
eV/atom
Uncorrected Energy
-6.8647
eV/atom
Volume/atom
24.42
ų
c/a Ratio
1.1290

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
37.533
GPa
GVRH
17.204
GPa
Young's Modulus E
44.771
GPa
Poisson Ratio ν
0.301
Pugh Ratio K/G
2.182
Vickers Hardness Est.
1.241
GPa
Ductility
Brittle
Anisotropy
15.036
Lame λ
26.064
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.887
Family
Mg-based Alloy
Matrix Element
Mg · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
15.0360
Homogeneous Poisson ν
0.3010
Debye Temperature
307.8
K
Sound Velocity
3,000.8
m/s
Homogeneity
0.3010

Related Tasks

Related computation task IDs (1)
aaaekvms

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-981252
Reference Citation

The crystal structure and related material properties of YMg5 were obtained from the Materials Project database (MP-ID: mp-981252, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_YMg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23004829
_cell_length_b   6.23004829
_cell_length_c   7.03346222
_cell_angle_alpha   72.95089256
_cell_angle_beta   72.95089256
_cell_angle_gamma   34.33496758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg5
_chemical_formula_sum   'Y1 Mg5'
_cell_volume   146.54763579
_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  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg1  1  0.17599165  0.17599165  0.67103527  1.0
  Mg  Mg2  1  0.82746008  0.82746008  0.84613128  1.0
  Mg  Mg3  1  0.50000000  0.50000000  0.00000000  1.0
  Mg  Mg4  1  0.17253992  0.17253992  0.15386872  1.0
  Mg  Mg5  1  0.82400835  0.82400835  0.32896473  1.0
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