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ErN

Elasticity Data ELA

MP-ID: mp-19830 · Space group: Fm-3m (#225)

Basic Information

Formula
ErN
MP-ID
mp-19830
Elements
2
Sites
2
Density
10.7679
g/cm³
Volume
27.95
ų
Cell a
3.4066
Å
Cell b
3.4066
Å
Cell c
3.4066
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
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 15)
2θd (Å)Ihkl
32.18 2.7814 100.0 (1,0,0)
32.18 2.7814 33.3 (0,0,1)
37.33 2.4088 93.6 (1,1,0)
53.82 1.7033 32.1 (1,-1,0)
53.82 1.7033 32.1 (1,0,-1)
64.11 1.4526 4.9 (2,0,1)
64.11 1.4526 39.2 (2,1,0)
64.11 1.4526 14.7 (1,0,2)
67.33 1.3907 5.4 (2,0,0)
67.33 1.3907 10.8 (0,2,0)
67.33 1.3907 5.4 (0,0,2)
79.60 1.2044 10.1 (2,2,0)
88.46 1.1052 12.9 (2,-1,0)
88.46 1.1052 6.5 (2,0,-1)
88.46 1.1052 6.5 (1,0,-2)
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Energy Properties

Formation Energy/atom
-2.09961
eV/atom
Energy/atom
-23.62670
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.6267
eV/atom
Volume/atom
13.98
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.115
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
169.316
GPa
GVRH
132.589
GPa
Young's Modulus E
315.431
GPa
Poisson Ratio ν
0.190
Pugh Ratio K/G
1.277
Vickers Hardness Est.
23.209
GPa
Ductility
Ductile
Anisotropy
0.002
Lame λ
80.923
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0020
Homogeneous Poisson ν
0.1900
Debye Temperature
1,122.5
K
Sound Velocity
3,869.6
m/s
Homogeneity
0.1900

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-19830
Reference Citation

The crystal structure and related material properties of ErN were obtained from the Materials Project database (MP-ID: mp-19830, 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_ErN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40655708
_cell_length_b   3.40655700
_cell_length_c   3.40655651
_cell_angle_alpha   59.99999494
_cell_angle_beta   59.99999570
_cell_angle_gamma   60.00000209
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErN
_chemical_formula_sum   'Er1 N1'
_cell_volume   27.95322408
_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
  N  N1  1  0.50000000  0.50000000  0.50000000  1.0
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