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CrP4

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-7302 · Space group: C2/c (#15)

Basic Information

Formula
CrP4
MP-ID
mp-7302
Elements
2
Sites
10
Density
3.9398
g/cm³
Volume
148.27
ų
Cell a
5.1743
Å
Cell b
5.7249
Å
Cell c
5.9408
Å
α Angle
81.17
°
β Angle
64.19
°
γ Angle
69.38
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic 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
16.58 5.3480 1.6 (0,0,1)
20.13 4.4118 33.4 (1,0,0)
20.13 4.4116 33.4 (1,0,1)
21.60 4.1146 1.0 (1,1,1)
21.60 4.1145 1.0 (1,1,0)
30.09 2.9703 4.1 (1,-1,0)
30.09 2.9701 4.1 (1,-1,1)
31.15 2.8713 5.1 (1,0,-1)
31.15 2.8710 5.1 (1,0,2)
32.15 2.7843 72.4 (1,1,2)
32.15 2.7842 72.4 (1,1,-1)
33.45 2.6791 100.0 (0,2,0)
37.13 2.4214 15.7 (2,0,1)
37.59 2.3927 3.1 (0,1,2)
37.60 2.3925 3.1 (0,1,-2)
38.54 2.3360 1.3 (1,-1,-1)
38.54 2.3357 1.3 (1,-1,2)
38.85 2.3183 12.5 (2,1,0)
38.85 2.3183 12.5 (2,1,2)
40.91 2.2059 13.3 (2,0,0)
40.91 2.2058 13.3 (2,0,2)
41.00 2.2015 8.2 (1,2,2)
41.00 2.2013 8.1 (1,2,-1)
44.02 2.0573 7.7 (2,2,2)
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Energy Properties

Formation Energy/atom
-0.26417
eV/atom
Energy/atom
-10.48049
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-10.4805
eV/atom
Volume/atom
14.83
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
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
125.759
GPa
GVRH
101.107
GPa
Young's Modulus E
239.214
GPa
Poisson Ratio ν
0.183
Pugh Ratio K/G
1.244
Vickers Hardness Est.
20.065
GPa
Ductility
Ductile
Anisotropy
0.679
Lame λ
58.354
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
P · 0.800
Element Family
N/A
Solute Fraction
0.200
Interstitial Fraction
0.800

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.724
Family
Binary Alloy
Matrix Element
P · 0.800

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.6790
Homogeneous Poisson ν
0.1830
Debye Temperature
676.4
K
Sound Velocity
5,582.6
m/s
Homogeneity
0.1830

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-7302
Reference Citation

The crystal structure and related material properties of CrP4 were obtained from the Materials Project database (MP-ID: mp-7302, 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_CrP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17427939
_cell_length_b   5.72485794
_cell_length_c   5.94076960
_cell_angle_alpha   81.17372258
_cell_angle_beta   64.18608648
_cell_angle_gamma   69.38146533
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrP4
_chemical_formula_sum   'Cr2 P8'
_cell_volume   148.26998443
_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
  Cr  Cr0  1  0.06106794  0.25004487  0.87789761  1.0
  Cr  Cr1  1  0.93893206  0.74995513  0.12210239  1.0
  P  P2  1  0.49363718  0.30974021  0.56019143  1.0
  P  P3  1  0.94632209  0.19023165  0.56014752  1.0
  P  P4  1  0.18409530  0.32262259  0.17712905  1.0
  P  P5  1  0.63881025  0.17754929  0.17713123  1.0
  P  P6  1  0.81590470  0.67737741  0.82287095  1.0
  P  P7  1  0.36118975  0.82245071  0.82286877  1.0
  P  P8  1  0.05367791  0.80976835  0.43985248  1.0
  P  P9  1  0.50636282  0.69025979  0.43980857  1.0
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