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CaZn

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30483 · Space group: Cmcm (#63)

Basic Information

Formula
CaZn
MP-ID
mp-30483
Elements
2
Sites
4
Density
3.3441
g/cm³
Volume
104.76
ų
Cell a
4.2033
Å
Cell b
4.4503
Å
Cell c
5.9819
Å
α Angle
90.00
°
β Angle
110.57
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
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
15.82 5.6005 53.4 (0,0,1)
22.59 3.9353 45.1 (1,0,0)
25.57 3.4842 1.3 (0,1,1)
30.32 2.9480 100.0 (1,1,0)
31.96 2.8003 6.9 (0,0,2)
32.06 2.7914 55.3 (1,0,1)
37.96 2.3701 62.6 (0,1,2)
38.05 2.3647 98.1 (1,1,1)
40.54 2.2251 39.3 (0,2,0)
43.04 2.1016 32.8 (2,0,-1)
43.78 2.0679 8.3 (0,2,1)
45.90 1.9770 1.4 (1,0,2)
46.13 1.9677 7.1 (2,0,0)
46.91 1.9370 13.6 (1,2,0)
50.52 1.8067 4.6 (1,1,2)
52.53 1.7421 3.0 (0,2,2)
52.60 1.7400 24.8 (1,2,1)
53.21 1.7215 18.4 (0,1,3)
54.60 1.6809 2.6 (2,0,1)
58.72 1.5725 32.5 (2,1,1)
60.61 1.5279 22.1 (2,2,-1)
62.06 1.4955 17.7 (1,0,3)
62.88 1.4779 1.0 (1,2,2)
63.07 1.4740 5.3 (2,2,0)
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Energy Properties

Formation Energy/atom
-0.24749
eV/atom
Energy/atom
-1.88017
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-8.2199
eV/atom
Volume/atom
26.19
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
0.0002
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
32.099
GPa
GVRH
14.606
GPa
Young's Modulus E
38.047
GPa
Poisson Ratio ν
0.302
Pugh Ratio K/G
2.198
Vickers Hardness Est.
0.821
GPa
Ductility
Brittle
Anisotropy
0.830
Lame λ
22.362
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ca · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Ca · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.8300
Homogeneous Poisson ν
0.3020
Debye Temperature
234.1
K
Sound Velocity
2,335.1
m/s
Homogeneity
0.3020

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30483
Reference Citation

The crystal structure and related material properties of CaZn were obtained from the Materials Project database (MP-ID: mp-30483, 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_CaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20327530
_cell_length_b   4.45028337
_cell_length_c   5.98186779
_cell_angle_alpha   90.00000000
_cell_angle_beta   110.56897105
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn
_chemical_formula_sum   'Ca2 Zn2'
_cell_volume   104.76208043
_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
  Ca  Ca0  1  0.85473142  0.25000000  0.70946185  1.0
  Ca  Ca1  1  0.14526858  0.75000000  0.29053815  1.0
  Zn  Zn2  1  0.56087848  0.25000000  0.12175696  1.0
  Zn  Zn3  1  0.43912152  0.75000000  0.87824304  1.0
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