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ErAg2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30339 · Space group: I4/mmm (#139)

Basic Information

Formula
ErAg2
MP-ID
mp-30339
Elements
2
Sites
3
Density
10.3009
g/cm³
Volume
61.74
ų
Cell a
3.6816
Å
Cell b
3.6816
Å
Cell c
5.2465
Å
α Angle
110.54
°
β Angle
110.54
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.49 4.5551 2.5 (0,0,1)
26.11 3.4134 7.2 (1,0,0)
34.45 2.6033 45.2 (1,1,-1)
34.45 2.6033 45.2 (1,-1,0)
38.43 2.3426 33.3 (1,0,1)
38.43 2.3426 100.0 (0,1,1)
39.89 2.2602 1.3 (1,1,-2)
49.52 1.8408 31.7 (2,0,-1)
53.45 1.7141 1.2 (1,-1,2)
56.83 1.6202 1.0 (2,-1,0)
61.03 1.5184 8.3 (0,0,3)
64.37 1.4474 14.1 (2,1,0)
64.37 1.4474 7.0 (2,-1,1)
64.37 1.4474 35.2 (2,1,-3)
72.00 1.3116 5.0 (1,1,2)
72.00 1.3116 5.0 (1,-1,3)
72.00 1.3116 10.0 (1,-1,-3)
72.64 1.3016 4.9 (2,2,-2)
72.64 1.3016 4.9 (2,-2,0)
82.32 1.1713 7.0 (2,0,2)
82.32 1.1713 7.0 (2,0,-4)
82.93 1.1642 3.5 (3,1,-2)
82.93 1.1642 3.5 (1,3,-2)
82.93 1.1642 7.0 (3,-1,-1)
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Energy Properties

Formation Energy/atom
-0.32592
eV/atom
Energy/atom
-3.74378
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.8879
eV/atom
Volume/atom
20.58
ų
c/a Ratio
1.4251

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
77.336
GPa
GVRH
34.070
GPa
Young's Modulus E
89.123
GPa
Poisson Ratio ν
0.308
Pugh Ratio K/G
2.270
Vickers Hardness Est.
3.039
GPa
Ductility
Brittle
Anisotropy
1.033
Lame λ
54.623
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ag · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.788
Family
Binary Alloy
Matrix Element
Ag · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.0330
Homogeneous Poisson ν
0.3080
Debye Temperature
267.4
K
Sound Velocity
2,033.4
m/s
Homogeneity
0.3080

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30339
Reference Citation

The crystal structure and related material properties of ErAg2 were obtained from the Materials Project database (MP-ID: mp-30339, 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_ErAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68157344
_cell_length_b   3.68157320
_cell_length_c   5.24653474
_cell_angle_alpha   110.53977617
_cell_angle_beta   110.53977336
_cell_angle_gamma   89.99998372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErAg2
_chemical_formula_sum   'Er1 Ag2'
_cell_volume   61.74004855
_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
  Er  Er0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Ag  Ag1  1  0.33091295  0.33091295  0.66182789  1.0
  Ag  Ag2  1  0.66908705  0.66908705  0.33817211  1.0
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