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CaMg

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1039368 · Space group: R-3m (#166)

Basic Information

Formula
CaMg
MP-ID
mp-1039368
Elements
2
Sites
2
Density
1.6325
g/cm³
Volume
65.49
ų
Cell a
6.0344
Å
Cell b
6.0344
Å
Cell c
6.0344
Å
α Angle
35.28
°
β Angle
35.28
°
γ Angle
35.28
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
No
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
15.68 5.6529 10.7 (1,1,1)
28.67 3.1136 6.9 (1,0,0)
30.12 2.9672 100.0 (1,1,0)
31.66 2.8265 29.0 (2,2,2)
35.37 2.5375 63.5 (2,1,1)
38.90 2.3150 2.7 (2,2,1)
49.87 1.8288 22.2 (1,0,-1)
51.90 1.7617 19.5 (3,3,2)
52.60 1.7400 1.3 (2,1,0)
59.36 1.5568 8.4 (2,0,0)
59.36 1.5568 4.2 (0,0,2)
60.28 1.5354 16.0 (3,2,1)
60.28 1.5354 8.0 (2,1,3)
62.08 1.4951 7.3 (4,3,3)
62.08 1.4951 3.6 (3,3,4)
62.61 1.4836 10.6 (2,2,0)
66.12 1.4132 2.9 (4,4,4)
74.84 1.2688 4.0 (4,2,2)
74.84 1.2688 2.0 (2,2,4)
81.13 1.1854 9.4 (2,1,-1)
83.52 1.1575 4.3 (4,4,2)
84.00 1.1521 5.7 (3,1,0)
84.00 1.1521 2.8 (1,0,3)
85.90 1.1314 1.3 (5,5,4)
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Energy Properties

Formation Energy/atom
0.04624
eV/atom
Energy/atom
-5.55756
eV/atom
Energy above Hull
0.1344
eV/atom
Uncorrected Energy
-1.7482
eV/atom
Volume/atom
32.74
ų
c/a Ratio
1.0000

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0080
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000120
μB/ų

Elastic Properties

KVRH
21.470
GPa
GVRH
8.429
GPa
Young's Modulus E
22.361
GPa
Poisson Ratio ν
0.326
Pugh Ratio K/G
2.547
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
5.553
Lame λ
15.851
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
0.535
Family
Binary Alloy
Matrix Element
Ca · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
5.5530
Homogeneous Poisson ν
0.3260
Debye Temperature
236.9
K
Sound Velocity
2,546.8
m/s
Homogeneity
0.3260

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1039368
Reference Citation

The crystal structure and related material properties of CaMg were obtained from the Materials Project database (MP-ID: mp-1039368, 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_CaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03442610
_cell_length_b   6.03442610
_cell_length_c   6.03442566
_cell_angle_alpha   35.28209338
_cell_angle_beta   35.28209338
_cell_angle_gamma   35.28209350
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg
_chemical_formula_sum   'Ca1 Mg1'
_cell_volume   65.48918274
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.50000000  0.50000000  0.50000000  1.0
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