Basic Information
Formula
PrEuB12
MP-ID
mp-3295698
Elements
3
Sites
14
Density
4.9186
g/cm³
Volume
142.67
ų
Cell a
5.8652
Å
Cell b
5.8652
Å
Cell c
5.8652
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.43 | 4.1473 | 50.0 | (1,1,0) |
| 21.43 | 4.1473 | 100.0 | (1,0,1) |
| 30.48 | 2.9326 | 76.9 | (2,1,1) |
| 30.48 | 2.9326 | 76.9 | (1,2,1) |
| 30.48 | 2.9326 | 38.5 | (1,1,2) |
| 30.48 | 2.9326 | 38.5 | (1,-1,0) |
| 37.56 | 2.3945 | 72.6 | (2,2,2) |
| 37.56 | 2.3945 | 24.2 | (0,2,0) |
| 43.65 | 2.0737 | 16.4 | (2,2,0) |
| 43.65 | 2.0737 | 32.9 | (2,0,2) |
| 49.12 | 1.8548 | 38.1 | (3,2,1) |
| 49.12 | 1.8548 | 38.1 | (3,1,2) |
| 49.12 | 1.8548 | 19.1 | (2,1,3) |
| 49.12 | 1.8548 | 19.1 | (2,-1,1) |
| 54.17 | 1.6932 | 10.5 | (3,3,2) |
| 54.17 | 1.6932 | 10.5 | (3,1,0) |
| 54.17 | 1.6931 | 10.5 | (3,2,3) |
| 54.17 | 1.6931 | 10.5 | (2,3,3) |
| 54.17 | 1.6931 | 21.1 | (2,-1,-1) |
| 63.44 | 1.4663 | 15.4 | (4,2,2) |
| 63.44 | 1.4663 | 3.9 | (2,2,4) |
| 63.44 | 1.4663 | 3.9 | (2,-2,0) |
| 67.79 | 1.3825 | 2.0 | (3,3,0) |
| 67.79 | 1.3825 | 19.4 | (4,3,3) |
Energy Properties
Formation Energy/atom
-0.54588
eV/atom
Energy/atom
-11.69453
eV/atom
Energy above Hull
0.0024
eV/atom
Uncorrected Energy
-11.6945
eV/atom
Volume/atom
10.19
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
6.9124
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.048450
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
B · 0.857
Element Family
N/A
Solute Fraction
0.143
Interstitial Fraction
0.857
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.619
Family
Interstitial Alloy
Matrix Element
B · 0.857
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295698
Reference Citation
The crystal structure and related material properties of PrEuB12 were obtained from the Materials Project database (MP-ID: mp-3295698, 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_PrEuB12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86522629
_cell_length_b 5.86522590
_cell_length_c 5.86522263
_cell_angle_alpha 60.00001841
_cell_angle_beta 60.00002063
_cell_angle_gamma 59.99993665
_symmetry_Int_Tables_number 1
_chemical_formula_structural PrEuB12
_chemical_formula_sum 'Pr1 Eu1 B12'
_cell_volume 142.67206257
_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 0.50000000 0.50000000 0.50000000 1.0
Eu Eu1 1 0.00000000 0.00000000 0.00000000 1.0
B B2 1 0.89966275 0.60033725 0.60033725 1.0
B B3 1 0.39966275 0.10033725 0.10033725 1.0
B B4 1 0.89966275 0.89966275 0.60033725 1.0
B B5 1 0.39966275 0.39966275 0.10033725 1.0
B B6 1 0.60033725 0.89966275 0.60033725 1.0
B B7 1 0.10033725 0.39966275 0.10033725 1.0
B B8 1 0.60033725 0.60033725 0.89966275 1.0
B B9 1 0.10033725 0.10033725 0.39966275 1.0
B B10 1 0.89966275 0.60033725 0.89966275 1.0
B B11 1 0.39966275 0.10033725 0.39966275 1.0
B B12 1 0.60033725 0.89966275 0.89966275 1.0
B B13 1 0.10033725 0.39966275 0.39966275 1.0
