PrHo3
Traditional Materials TRAMP-ID: mp-982065 · Space group: I4/mmm (#139)
Basic Information
Formula
PrHo3
MP-ID
mp-982065
Elements
2
Sites
4
Density
8.1518
g/cm³
Volume
129.49
ų
Cell a
6.1620
Å
Cell b
6.1620
Å
Cell c
6.1620
Å
α Angle
131.24
°
β Angle
131.24
°
γ Angle
71.44
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.61 | 2.9208 | 100.0 | (1,1,0) |
| 35.28 | 2.5438 | 34.3 | (1,-1,1) |
| 35.90 | 2.5014 | 16.4 | (2,2,-2) |
| 50.76 | 1.7988 | 12.3 | (0,0,2) |
| 51.22 | 1.7836 | 23.9 | (3,1,-1) |
| 60.44 | 1.5316 | 29.1 | (2,0,1) |
| 61.27 | 1.5130 | 13.9 | (3,3,-2) |
| 63.73 | 1.4604 | 12.4 | (2,2,0) |
| 74.62 | 1.2719 | 3.9 | (2,-2,2) |
| 76.11 | 1.2507 | 1.9 | (4,4,-4) |
| 82.77 | 1.1661 | 6.0 | (1,1,2) |
| 83.49 | 1.1578 | 11.8 | (4,2,-1) |
| 85.32 | 1.1376 | 5.6 | (1,-1,3) |
| 85.68 | 1.1338 | 5.6 | (4,0,0) |
| 86.76 | 1.1224 | 5.4 | (5,3,-3) |
Energy Properties
Formation Energy/atom
0.05245
eV/atom
Energy/atom
-31.95955
eV/atom
Energy above Hull
0.0525
eV/atom
Uncorrected Energy
-31.9595
eV/atom
Volume/atom
32.37
ų
c/a Ratio
1.0000
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
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-982065
Reference Citation
The crystal structure and related material properties of PrHo3 were obtained from the Materials Project database (MP-ID: mp-982065, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_PrHo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16198118
_cell_length_b 6.16198118
_cell_length_c 6.16198118
_cell_angle_alpha 131.23502268
_cell_angle_beta 131.23502268
_cell_angle_gamma 71.43994236
_symmetry_Int_Tables_number 1
_chemical_formula_structural PrHo3
_chemical_formula_sum 'Pr1 Ho3'
_cell_volume 129.49327776
_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 -0.00000000 0.00000000 -0.00000000 1.0
Ho Ho1 1 0.75000000 0.25000000 0.50000000 1.0
Ho Ho2 1 0.25000000 0.75000000 0.50000000 1.0
Ho Ho3 1 0.50000000 0.50000000 -0.00000000 1.0
