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Mg(Co3P2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1102283 · Space group: Amm2 (#38)

Basic Information

Formula
Mg(Co3P2)2
MP-ID
mp-1102283
Elements
3
Sites
11
Density
6.0249
g/cm³
Volume
138.30
ų
Cell a
3.5638
Å
Cell b
6.4670
Å
Cell c
6.4670
Å
α Angle
111.89
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
Stability
No
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
14.76 6.0009 83.6 (0,1,0)
16.55 5.3577 10.5 (0,1,-1)
24.58 3.6217 4.0 (0,1,1)
24.99 3.5638 2.1 (1,0,0)
27.85 3.2035 14.8 (0,2,-1)
29.14 3.0642 32.4 (1,1,0)
29.78 3.0005 8.8 (0,2,0)
30.12 2.9673 35.2 (1,1,-1)
33.45 2.6789 13.1 (0,2,-2)
35.33 2.5402 2.7 (1,1,1)
37.76 2.3824 7.4 (1,2,-1)
38.21 2.3554 11.4 (0,2,1)
39.25 2.2953 100.0 (1,2,0)
41.95 2.1537 28.2 (0,3,-1)
42.20 2.1414 28.8 (1,2,-2)
44.07 2.0550 20.4 (0,3,-2)
45.34 2.0003 9.3 (0,3,0)
46.20 1.9650 75.4 (1,2,1)
49.45 1.8433 87.1 (1,3,-1)
50.39 1.8108 24.5 (0,2,2)
51.15 1.7859 11.4 (0,3,-3)
51.27 1.7819 50.3 (2,0,0)
51.32 1.7803 15.5 (1,3,-2)
52.46 1.7443 8.8 (1,3,0)
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Energy Properties

Formation Energy/atom
-0.28377
eV/atom
Energy/atom
-6.29221
eV/atom
Energy above Hull
0.3340
eV/atom
Uncorrected Energy
-6.2922
eV/atom
Volume/atom
12.57
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
0.7921
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.005730
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.545
Element Family
3d-TM
Solute Fraction
0.455
Interstitial Fraction
0.364

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9165
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.6195
J/mol·K
Ω Parameter
1.4849
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.173%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2465
smaller = more stable mixing
VEC
6.909
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.971
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8342
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.531
Family
Co-based Alloy
Matrix Element
Co · 0.545

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1102283
Reference Citation

The crystal structure and related material properties of Mg(Co3P2)2 were obtained from the Materials Project database (MP-ID: mp-1102283, 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_Mg(Co3P2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56375100
_cell_length_b   6.46698231
_cell_length_c   6.46698231
_cell_angle_alpha   111.88511278
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(Co3P2)2
_chemical_formula_sum   'Mg1 Co6 P4'
_cell_volume   138.30165640
_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
  Mg  Mg0  1  0.00000000  0.13376700  0.86623300  1.0
  Co  Co1  1  0.50000000  0.51224100  0.10124300  1.0
  Co  Co2  1  0.50000000  0.49486400  0.50513600  1.0
  Co  Co3  1  0.50000000  0.89875700  0.48775900  1.0
  Co  Co4  1  0.00000000  0.73934600  0.71843100  1.0
  Co  Co5  1  0.00000000  0.85030000  0.14970000  1.0
  Co  Co6  1  0.00000000  0.28156900  0.26065400  1.0
  P  P7  1  0.50000000  0.10916900  0.28844800  1.0
  P  P8  1  0.50000000  0.29390000  0.70610000  1.0
  P  P9  1  0.50000000  0.71155200  0.89083100  1.0
  P  P10  1  0.00000000  0.64123600  0.35876400  1.0
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