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EuCl2

Elasticity Data ELA

MP-ID: mp-22887 · Space group: Pnma (#62)

Basic Information

Formula
EuCl2
MP-ID
mp-22887
Elements
2
Sites
12
Density
4.8714
g/cm³
Volume
303.88
ų
Cell a
4.5154
Å
Cell b
7.4967
Å
Cell c
8.9772
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
Stability
Yes
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
19.78 4.4886 5.0 (0,0,2)
22.04 4.0338 51.3 (1,0,1)
23.10 3.8511 100.0 (0,1,2)
23.74 3.7483 48.1 (0,2,0)
25.07 3.5522 96.6 (1,1,1)
30.51 2.9301 15.3 (1,1,2)
31.01 2.8841 8.6 (1,2,0)
31.08 2.8771 7.5 (0,2,2)
32.21 2.7792 4.9 (0,1,3)
32.61 2.7459 98.2 (1,2,1)
36.01 2.4944 60.1 (1,0,3)
37.05 2.4264 1.2 (1,2,2)
37.35 2.4074 2.7 (0,3,1)
38.02 2.3668 26.1 (1,1,3)
38.50 2.3386 2.8 (0,2,3)
39.93 2.2577 40.4 (2,0,0)
40.18 2.2443 24.4 (0,0,4)
41.35 2.1834 44.6 (0,3,2)
42.02 2.1500 1.5 (0,1,4)
42.56 2.1243 42.5 (1,3,1)
43.58 2.0766 51.6 (1,2,3)
44.94 2.0169 1.2 (2,0,2)
46.63 1.9477 33.1 (2,1,2)
46.98 1.9340 16.6 (2,2,0)
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Energy Properties

Formation Energy/atom
-2.81374
eV/atom
Energy/atom
-7.47547
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.6154
eV/atom
Volume/atom
25.32
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.307
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
28.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.092140
μB/ų

Elastic Properties

KVRH
26.542
GPa
GVRH
11.102
GPa
Young's Modulus E
29.230
GPa
Poisson Ratio ν
0.316
Pugh Ratio K/G
2.391
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.926
Lame λ
19.141
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cl · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.9260
Homogeneous Poisson ν
0.3160
Homogeneity
0.3160

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-22887
Reference Citation

The crystal structure and related material properties of EuCl2 were obtained from the Materials Project database (MP-ID: mp-22887, 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_EuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51535416
_cell_length_b   7.49668229
_cell_length_c   8.97724086
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuCl2
_chemical_formula_sum   'Eu4 Cl8'
_cell_volume   303.88117919
_cell_formula_units_Z   4
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
  Eu  Eu0  1  0.25000000  0.74634185  0.38936765  1.0
  Eu  Eu1  1  0.75000000  0.25365815  0.61063235  1.0
  Eu  Eu2  1  0.25000000  0.24634185  0.11063235  1.0
  Eu  Eu3  1  0.75000000  0.75365815  0.88936765  1.0
  Cl  Cl4  1  0.25000000  0.51906612  0.66328550  1.0
  Cl  Cl5  1  0.75000000  0.48093388  0.33671450  1.0
  Cl  Cl6  1  0.25000000  0.01906612  0.83671450  1.0
  Cl  Cl7  1  0.75000000  0.98093388  0.16328550  1.0
  Cl  Cl8  1  0.75000000  0.85812089  0.57578604  1.0
  Cl  Cl9  1  0.25000000  0.14187911  0.42421396  1.0
  Cl  Cl10  1  0.75000000  0.35812089  0.92421396  1.0
  Cl  Cl11  1  0.25000000  0.64187911  0.07578604  1.0
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