CuF
Traditional Materials TRAMP-ID: mp-10634 · Space group: F-43m (#216)
Basic Information
Formula
CuF
MP-ID
mp-10634
Elements
2
Sites
2
Density
4.8159
g/cm³
Volume
28.46
ų
Cell a
3.4271
Å
Cell b
3.4271
Å
Cell c
3.4271
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
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 7)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 31.98 | 2.7982 | 100.0 | (1,1,1) |
| 37.10 | 2.4233 | 23.7 | (1,1,0) |
| 53.47 | 1.7135 | 47.5 | (2,1,1) |
| 63.68 | 1.4613 | 35.8 | (2,2,1) |
| 66.87 | 1.3991 | 5.6 | (2,2,2) |
| 79.03 | 1.2117 | 6.4 | (2,2,0) |
| 87.79 | 1.1119 | 13.7 | (3,2,2) |
Energy Properties
Formation Energy/atom
-1.01680
eV/atom
Energy/atom
-4.02369
eV/atom
Energy above Hull
0.3414
eV/atom
Uncorrected Energy
-3.7927
eV/atom
Volume/atom
14.23
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0200
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000700
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.509
Family
Cu-based Alloy
Matrix Element
Cu · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10634
Reference Citation
The crystal structure and related material properties of CuF were obtained from the Materials Project database (MP-ID: mp-10634, 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_CuF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42708352
_cell_length_b 3.42708352
_cell_length_c 3.42708352
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuF
_chemical_formula_sum 'Cu1 F1'
_cell_volume 28.46158420
_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
Cu Cu0 1 0.00000000 0.00000000 0.00000000 1.0
F F1 1 0.75000000 0.75000000 0.75000000 1.0
