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MnP

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-999516 · Space group: P6_3/mmc (#194)

Basic Information

Formula
MnP
MP-ID
mp-999516
Elements
2
Sites
4
Density
5.5026
g/cm³
Volume
51.85
ų
Cell a
3.3394
Å
Cell b
3.3394
Å
Cell c
5.3692
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
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 22)
2θd (Å)Ihkl
30.92 2.8920 53.1 (1,0,-1,0)
33.38 2.6846 5.6 (0,0,0,2)
35.25 2.5461 10.4 (1,-1,0,1)
35.25 2.5461 20.7 (1,0,-1,1)
46.14 1.9675 100.0 (1,0,-1,2)
55.00 1.6697 27.8 (2,-1,-1,0)
55.00 1.6697 13.9 (1,1,-2,0)
60.87 1.5219 5.7 (1,0,-1,3)
64.44 1.4460 1.8 (2,-2,0,0)
64.44 1.4460 3.6 (2,0,-2,0)
65.88 1.4178 2.5 (2,-1,-1,2)
65.88 1.4178 1.3 (1,1,-2,2)
67.03 1.3962 1.4 (2,-2,0,1)
67.03 1.3962 2.9 (2,0,-2,1)
70.11 1.3423 6.4 (0,0,0,4)
74.54 1.2731 7.1 (2,-2,0,2)
74.54 1.2731 14.3 (2,0,-2,2)
78.57 1.2175 5.6 (1,0,-1,4)
86.54 1.1248 1.5 (2,0,-2,3)
89.71 1.0931 1.3 (3,-2,-1,0)
89.71 1.0931 1.3 (3,-1,-2,0)
89.71 1.0931 1.3 (2,1,-3,0)
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Energy Properties

Formation Energy/atom
-0.45761
eV/atom
Energy/atom
-7.74635
eV/atom
Energy above Hull
0.1576
eV/atom
Uncorrected Energy
-7.7464
eV/atom
Volume/atom
12.96
ų
c/a Ratio
1.6079

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
3.8754
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.074740
μB/ų

Elastic Properties

KVRH
105.134
GPa
GVRH
80.838
GPa
Young's Modulus E
193.038
GPa
Poisson Ratio ν
0.194
Pugh Ratio K/G
1.301
Vickers Hardness Est.
16.207
GPa
Ductility
Ductile
Anisotropy
1.838
Lame λ
51.242
GPa

Feature Analysis

Composition Overview

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

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.729
Family
Binary Alloy
Matrix Element
Mn · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.8380
Homogeneous Poisson ν
0.1940
Debye Temperature
535.8
K
Sound Velocity
4,228.7
m/s
Homogeneity
0.1940

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-999516
Reference Citation

The crystal structure and related material properties of MnP were obtained from the Materials Project database (MP-ID: mp-999516, 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_MnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33934869
_cell_length_b   3.33934869
_cell_length_c   5.36919900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnP
_chemical_formula_sum   'Mn2 P2'
_cell_volume   51.85177319
_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
  Mn  Mn0  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn1  1  0.00000000  0.00000000  0.00000000  1.0
  P  P2  1  0.33333300  0.66666700  0.25000000  1.0
  P  P3  1  0.66666700  0.33333300  0.75000000  1.0
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