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Cr10Sb3Te7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1101642 · Space group: C2 (#5)

Basic Information

Formula
Cr10Sb3Te7
MP-ID
mp-1101642
Elements
3
Sites
20
Density
6.5863
g/cm³
Volume
448.38
ų
Cell a
7.4248
Å
Cell b
7.4248
Å
Cell c
10.2615
Å
α Angle
73.41
°
β Angle
73.41
°
γ Angle
56.93
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
28.80 3.0999 21.0 (2,2,2)
29.05 3.0743 99.9 (1,0,3)
29.05 3.0736 100.0 (2,0,1)
29.06 3.0733 99.8 (2,1,-1)
38.60 2.3324 54.0 (2,1,4)
38.61 2.3319 53.8 (3,1,2)
38.62 2.3315 54.0 (3,2,0)
44.33 2.0435 42.4 (1,1,-4)
44.33 2.0434 84.7 (2,-1,-2)
51.18 1.7849 20.4 (3,2,5)
51.19 1.7846 20.4 (4,2,3)
51.19 1.7844 20.3 (4,3,1)
53.71 1.7065 4.0 (1,1,6)
53.72 1.7062 8.0 (3,0,4)
53.73 1.7059 8.0 (4,1,0)
53.74 1.7058 4.0 (3,3,-2)
53.87 1.7019 17.5 (1,-1,5)
53.88 1.7016 17.4 (3,-1,1)
53.88 1.7016 17.4 (3,1,-3)
59.65 1.5499 16.8 (4,4,4)
60.20 1.5371 13.6 (2,0,6)
60.22 1.5368 13.6 (4,0,2)
60.22 1.5366 13.6 (4,2,-2)
69.98 1.3444 7.9 (3,1,7)
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Energy Properties

Formation Energy/atom
-0.13590
eV/atom
Energy/atom
-6.68193
eV/atom
Energy above Hull
0.1434
eV/atom
Uncorrected Energy
-6.5342
eV/atom
Volume/atom
22.42
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
35.5496
μB
Mag. Ordering
FM
Mag. Sites
10
Magnetization/Volume
0.079280
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.3022
J/mol·K
Ω Parameter
2.1667
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
5.152%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2131
smaller = more stable mixing
VEC
5.150
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
5.665
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9089
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.536
Family
Cr-rich Multi-Component
Matrix Element
Cr · 0.500

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1101642
Reference Citation

The crystal structure and related material properties of Cr10Sb3Te7 were obtained from the Materials Project database (MP-ID: mp-1101642, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Cr10Sb3Te7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42475758
_cell_length_b   7.42475758
_cell_length_c   10.26145253
_cell_angle_alpha   73.41276807
_cell_angle_beta   73.41276807
_cell_angle_gamma   56.93488833
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr10Sb3Te7
_chemical_formula_sum   'Cr10 Sb3 Te7'
_cell_volume   448.37849812
_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  0.00225600  0.79855900  0.95029200  1.0
  Cr  Cr1  1  0.39988000  0.20380800  0.15090200  1.0
  Cr  Cr2  1  0.80177600  0.59982200  0.35193900  1.0
  Cr  Cr3  1  0.20144100  0.99774400  0.04970800  1.0
  Cr  Cr4  1  0.20319100  0.00085900  0.54960200  1.0
  Cr  Cr5  1  0.59627100  0.40058700  0.24948700  1.0
  Cr  Cr6  1  0.59941300  0.40372900  0.75051300  1.0
  Cr  Cr7  1  0.99914100  0.79680900  0.45039800  1.0
  Cr  Cr8  1  0.40017800  0.19822400  0.64806100  1.0
  Cr  Cr9  1  0.79619200  0.60012000  0.84909800  1.0
  Sb  Sb10  1  0.43327000  0.56673000  0.00000000  1.0
  Sb  Sb11  1  0.23336100  0.36640800  0.40023600  1.0
  Sb  Sb12  1  0.63359200  0.76663900  0.59976400  1.0
  Te  Te13  1  0.96732900  0.43374900  0.10035600  1.0
  Te  Te14  1  0.83356400  0.96662400  0.20027300  1.0
  Te  Te15  1  0.36660700  0.83283300  0.30071600  1.0
  Te  Te16  1  0.76574600  0.23425400  0.50000000  1.0
  Te  Te17  1  0.16716700  0.63339300  0.69928400  1.0
  Te  Te18  1  0.03337600  0.16643600  0.79972700  1.0
  Te  Te19  1  0.56625100  0.03267100  0.89964400  1.0
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