Basic Information
Formula
CrFeTe
MP-ID
mp-1009592
Elements
3
Sites
3
Density
7.7567
g/cm³
Volume
50.40
ų
Cell a
4.1463
Å
Cell b
4.1463
Å
Cell c
4.1463
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.33 | 3.3854 | 39.7 | (1,1,1) |
| 30.49 | 2.9319 | 34.5 | (1,1,0) |
| 43.66 | 2.0731 | 100.0 | (2,1,1) |
| 51.70 | 1.7680 | 18.8 | (2,2,1) |
| 54.19 | 1.6927 | 8.8 | (2,2,2) |
| 63.46 | 1.4659 | 15.5 | (2,2,0) |
| 69.93 | 1.3452 | 7.6 | (3,2,2) |
| 72.03 | 1.3112 | 11.1 | (3,2,1) |
| 80.19 | 1.1969 | 30.6 | (3,3,2) |
| 86.18 | 1.1285 | 5.9 | (3,3,3) |
Energy Properties
Formation Energy/atom
-0.01090
eV/atom
Energy/atom
-7.09969
eV/atom
Energy above Hull
0.2477
eV/atom
Uncorrected Energy
-6.9590
eV/atom
Volume/atom
16.80
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
2.0013
μB
Mag. Ordering
FiM
Mag. Sites
2
Magnetization/Volume
0.039710
μB/ų
Elastic Properties
KVRH
93.912
GPa
GVRH
54.599
GPa
Young's Modulus E
137.207
GPa
Poisson Ratio ν
0.257
Pugh Ratio K/G
1.720
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.037
Lame λ
57.513
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.349
Family
Cr-rich Multi-Component
Matrix Element
Cr · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009592
Reference Citation
The crystal structure and related material properties of CrFeTe were obtained from the Materials Project database (MP-ID: mp-1009592, 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_CrFeTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14625638
_cell_length_b 4.14625638
_cell_length_c 4.14625638
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrFeTe
_chemical_formula_sum 'Cr1 Fe1 Te1'
_cell_volume 50.40266027
_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
Cr Cr0 1 0.25000000 0.25000000 0.25000000 1.0
Fe Fe1 1 0.00000000 0.00000000 0.00000000 1.0
Te Te2 1 0.75000000 0.75000000 0.75000000 1.0
