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YMg5

Traditional Materials TRA Elasticity Data ELA

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

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
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 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
-

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)

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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

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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