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YbP3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-979984 · Space group: Pm-3m (#221)

Basic Information

Formula
YbP3
MP-ID
mp-979984
Elements
2
Sites
4
Density
6.4605
g/cm³
Volume
68.36
ų
Cell a
4.0889
Å
Cell b
4.0889
Å
Cell c
4.0889
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic 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 13)
2θd (Å)Ihkl
21.74 4.0889 87.0 (1,0,0)
30.93 2.8913 74.4 (1,1,0)
38.12 2.3607 100.0 (1,1,1)
44.31 2.0444 48.5 (2,0,0)
49.87 1.8286 41.1 (2,1,0)
55.01 1.6693 30.9 (2,1,1)
64.45 1.4456 31.4 (2,2,0)
68.89 1.3630 19.7 (3,0,0)
73.20 1.2930 13.2 (3,1,0)
77.41 1.2328 37.6 (3,1,1)
81.56 1.1804 11.0 (2,2,2)
85.66 1.1340 8.9 (3,2,0)
89.73 1.0928 16.4 (3,2,1)
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Energy Properties

Formation Energy/atom
-0.26422
eV/atom
Energy/atom
-16.14812
eV/atom
Energy above Hull
0.3010
eV/atom
Uncorrected Energy
-16.1481
eV/atom
Volume/atom
17.09
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
77.340
GPa
GVRH
35.155
GPa
Young's Modulus E
91.588
GPa
Poisson Ratio ν
0.303
Pugh Ratio K/G
2.200
Vickers Hardness Est.
3.380
GPa
Ductility
Brittle
Anisotropy
0.011
Lame λ
53.903
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
P · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.750

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.441
Family
Binary Alloy
Matrix Element
P · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0110
Homogeneous Poisson ν
0.3030
Debye Temperature
427.6
K
Sound Velocity
2,606.5
m/s
Homogeneity
0.3030

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-979984
Reference Citation

The crystal structure and related material properties of YbP3 were obtained from the Materials Project database (MP-ID: mp-979984, 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_YbP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08884612
_cell_length_b   4.08884612
_cell_length_c   4.08884612
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbP3
_chemical_formula_sum   'Yb1 P3'
_cell_volume   68.36003849
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.00000000  1.0
  P  P1  1  0.00000000  0.50000000  0.50000000  1.0
  P  P2  1  0.50000000  0.00000000  0.50000000  1.0
  P  P3  1  0.50000000  0.50000000  0.00000000  1.0
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