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PrHo3

Traditional Materials TRA

MP-ID: mp-981546 · Space group: Pm-3m (#221)

Basic Information

Formula
PrHo3
MP-ID
mp-981546
Elements
2
Sites
4
Density
8.1530
g/cm³
Volume
129.47
ų
Cell a
5.0587
Å
Cell b
5.0601
Å
Cell c
5.0581
Å
α Angle
90.00
°
β Angle
89.99
°
γ Angle
89.99
°
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 24)
2θd (Å)Ihkl
30.61 2.9211 100.0 (1,1,1)
30.61 2.9208 100.0 (1,-1,1)
30.61 2.9207 100.0 (1,1,-1)
30.61 2.9206 100.0 (1,-1,-1)
35.48 2.5300 67.6 (0,2,0)
35.49 2.5294 67.5 (2,0,0)
35.50 2.5291 67.5 (0,0,2)
51.06 1.7889 24.1 (2,2,0)
51.06 1.7887 24.1 (0,2,2)
51.06 1.7887 24.1 (2,-2,0)
51.06 1.7886 24.1 (0,2,-2)
51.07 1.7886 24.1 (2,0,2)
51.07 1.7883 24.1 (2,0,-2)
60.70 1.5257 14.3 (1,3,1)
60.71 1.5256 14.3 (1,3,-1)
60.71 1.5255 14.3 (1,-3,1)
60.71 1.5255 14.3 (1,-3,-1)
60.71 1.5254 14.3 (3,1,1)
60.72 1.5253 14.3 (3,-1,1)
60.72 1.5253 14.3 (3,1,-1)
60.72 1.5252 14.3 (1,1,3)
60.72 1.5252 14.3 (1,-1,3)
60.72 1.5252 14.3 (3,-1,-1)
60.73 1.5251 14.3 (1,1,-3)
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Energy Properties

Formation Energy/atom
0.05255
eV/atom
Energy/atom
-31.95945
eV/atom
Energy above Hull
0.0526
eV/atom
Uncorrected Energy
-31.9595
eV/atom
Volume/atom
32.37
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
0.0150
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000120
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.606
Family
Binary Alloy
Matrix Element
Ho · 0.750

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-981546
Reference Citation

The crystal structure and related material properties of PrHo3 were obtained from the Materials Project database (MP-ID: mp-981546, 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_PrHo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05870485
_cell_length_b   5.06006809
_cell_length_c   5.05810320
_cell_angle_alpha   89.99862942
_cell_angle_beta   89.99144083
_cell_angle_gamma   89.99413650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrHo3
_chemical_formula_sum   'Pr1 Ho3'
_cell_volume   129.47424317
_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
  Pr  Pr0  1  0.00000236  0.00000526  0.00000465  1.0
  Ho  Ho1  1  0.99999946  0.49999976  0.49999582  1.0
  Ho  Ho2  1  0.49999865  0.99999762  0.49999643  1.0
  Ho  Ho3  1  0.49999653  0.49999535  0.00000110  1.0
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