Navigation

HEAS Data Platform · Materials Science Database

Er2In

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-877 · Space group: P6_3/mmc (#194)

Basic Information

Formula
Er2In
MP-ID
mp-877
Elements
2
Sites
6
Density
9.2018
g/cm³
Volume
162.17
ų
Cell a
5.3084
Å
Cell b
5.3084
Å
Cell c
6.6454
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
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 23)
2θd (Å)Ihkl
23.53 3.7807 4.3 (1,0,-1,1)
26.83 3.3227 4.3 (0,0,0,2)
33.27 2.6930 100.0 (1,0,-1,2)
33.77 2.6542 34.2 (1,-2,1,0)
33.77 2.6542 68.4 (2,-1,-1,0)
41.57 2.1723 1.0 (2,0,-2,1)
43.65 2.0738 6.8 (2,-1,-1,2)
48.14 1.8904 11.9 (2,-2,0,2)
48.14 1.8904 23.7 (2,0,-2,2)
55.30 1.6614 8.3 (0,0,0,4)
60.09 1.5398 6.1 (2,-3,1,2)
60.09 1.5398 24.4 (3,-1,-2,2)
60.09 1.5398 6.1 (2,1,-3,2)
60.41 1.5324 6.4 (3,-3,0,0)
60.41 1.5324 12.7 (3,0,-3,0)
66.38 1.4082 9.6 (1,-2,1,4)
66.38 1.4082 19.2 (2,-1,-1,4)
71.03 1.3271 7.9 (4,-2,-2,0)
71.03 1.3271 3.9 (2,2,-4,0)
80.72 1.1904 7.9 (4,-3,-1,2)
80.72 1.1904 7.9 (4,-1,-3,2)
86.38 1.1264 4.8 (3,-3,0,4)
86.38 1.1264 9.6 (3,0,-3,4)
Get direct link

Energy Properties

Formation Energy/atom
-0.45944
eV/atom
Energy/atom
-30.60259
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.6026
eV/atom
Volume/atom
27.03
ų
c/a Ratio
1.2519

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.5110
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.009320
μB/ų

Elastic Properties

KVRH
55.971
GPa
GVRH
27.494
GPa
Young's Modulus E
70.877
GPa
Poisson Ratio ν
0.289
Pugh Ratio K/G
2.036
Vickers Hardness Est.
3.050
GPa
Ductility
Brittle
Anisotropy
0.580
Lame λ
37.642
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 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
0.703
Family
Binary Alloy
Matrix Element
Er · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5800
Homogeneous Poisson ν
0.2890
Debye Temperature
301.3
K
Sound Velocity
1,928.1
m/s
Homogeneity
0.2890

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-877
Reference Citation

The crystal structure and related material properties of Er2In were obtained from the Materials Project database (MP-ID: mp-877, 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_Er2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30839288
_cell_length_b   5.30839338
_cell_length_c   6.64542579
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000968
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2In
_chemical_formula_sum   'Er4 In2'
_cell_volume   162.17337655
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.75000043  1.0
  Er  Er1  1  0.66666700  0.33333300  0.24999957  1.0
  Er  Er2  1  0.00000000  -0.00000000  0.50000000  1.0
  Er  Er3  1  0.00000000  -0.00000000  0.00000000  1.0
  In  In4  1  0.66666700  0.33333300  0.75000353  1.0
  In  In5  1  0.33333300  0.66666700  0.24999647  1.0
Get direct link