Basic Information
Formula
V(CrTe2)2
MP-ID
mp-1025344
Elements
3
Sites
7
Density
6.4338
g/cm³
Volume
171.72
ų
Cell a
4.0059
Å
Cell b
6.9906
Å
Cell c
7.2723
Å
α Angle
117.50
°
β Angle
105.99
°
γ Angle
90.00
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 14.44 | 6.1321 | 4.9 | (0,0,1) |
| 14.45 | 6.1317 | 2.1 | (0,1,0) |
| 14.73 | 6.0143 | 3.4 | (0,1,-1) |
| 23.36 | 3.8079 | 2.6 | (1,0,0) |
| 25.49 | 3.4947 | 1.5 | (0,1,-2) |
| 25.49 | 3.4944 | 2.0 | (0,2,-1) |
| 25.63 | 3.4755 | 5.2 | (1,-1,0) |
| 29.13 | 3.0660 | 25.0 | (0,0,2) |
| 29.13 | 3.0658 | 32.7 | (0,2,0) |
| 29.40 | 3.0382 | 100.0 | (1,1,0) |
| 29.69 | 3.0092 | 58.6 | (1,-1,1) |
| 29.71 | 3.0071 | 51.2 | (0,2,-2) |
| 31.26 | 2.8612 | 4.2 | (1,0,1) |
| 34.97 | 2.5657 | 1.2 | (1,-2,1) |
| 38.63 | 2.3308 | 14.4 | (0,2,1) |
| 38.95 | 2.3121 | 34.1 | (1,1,1) |
| 39.41 | 2.2866 | 31.3 | (1,-1,2) |
| 39.54 | 2.2794 | 15.9 | (0,2,-3) |
| 40.43 | 2.2311 | 2.4 | (1,2,0) |
| 44.32 | 2.0439 | 1.8 | (0,3,0) |
| 45.02 | 2.0138 | 55.7 | (1,-3,1) |
| 45.27 | 2.0030 | 28.0 | (2,0,-1) |
| 50.41 | 1.8102 | 1.0 | (1,2,1) |
| 51.27 | 1.7819 | 9.9 | (0,2,2) |
Energy Properties
Formation Energy/atom
-0.47204
eV/atom
Energy/atom
-6.32393
eV/atom
Energy above Hull
0.0175
eV/atom
Uncorrected Energy
-6.0828
eV/atom
Volume/atom
24.53
ų
c/a Ratio
1.8154
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
9.0012
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.052420
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9557
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9457
J/mol·K
Ω Parameter
32.7935
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
3.893%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2229
smaller = more stable mixing
VEC
4.714
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.327
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8699
SS Former
1
Phase Tendency
SS
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025344
Reference Citation
The crystal structure and related material properties of V(CrTe2)2 were obtained from the Materials Project database (MP-ID: mp-1025344, 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_V(CrTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00590600
_cell_length_b 6.99062561
_cell_length_c 7.27234146
_cell_angle_alpha 117.49556997
_cell_angle_beta 105.98708361
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V(CrTe2)2
_chemical_formula_sum 'V1 Cr2 Te4'
_cell_volume 171.72136774
_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
V V0 1 0.00000000 0.00000000 0.00000000 1.0
Cr Cr1 1 0.25956200 0.27692200 0.51912400 1.0
Cr Cr2 1 0.74043800 0.72307800 0.48087600 1.0
Te Te3 1 0.12037000 0.45130100 0.24074000 1.0
Te Te4 1 0.87963000 0.54869900 0.75926000 1.0
Te Te5 1 0.36868500 0.02943100 0.73737000 1.0
Te Te6 1 0.63131500 0.97056900 0.26263000 1.0
