Navigation

HEAS Data Platform · Materials Science Database

Co2TeCl2O3

High-Entropy Materials HEA

MP-ID: mp-550564 · Space group: P2_1/m (#11)

Basic Information

Formula
Co2TeCl2O3
MP-ID
mp-550564
Elements
4
Sites
16
Density
4.3108
g/cm³
Volume
280.71
ų
Cell a
6.7432
Å
Cell b
5.0598
Å
Cell c
8.5288
Å
α Angle
74.72
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
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
10.75 8.2274 100.0 (0,0,1)
17.00 5.2153 16.0 (1,0,1)
18.53 4.7878 22.1 (0,1,1)
21.60 4.1137 39.0 (0,0,2)
22.78 3.9039 34.5 (1,1,1)
23.52 3.7831 57.0 (0,1,-1)
24.35 3.6559 53.0 (0,1,2)
26.44 3.3716 57.8 (2,0,0)
27.03 3.2993 55.2 (1,1,-1)
27.76 3.2139 25.3 (1,1,2)
28.61 3.1198 16.0 (2,0,1)
31.93 2.8026 40.7 (0,1,-2)
32.27 2.7741 41.3 (2,1,0)
32.48 2.7567 42.5 (2,1,1)
32.65 2.7425 4.9 (0,0,3)
32.98 2.7160 25.6 (0,1,3)
34.39 2.6077 78.5 (2,0,2)
34.66 2.5880 9.4 (1,1,-2)
35.33 2.5404 1.2 (1,0,3)
35.50 2.5284 11.5 (0,2,1)
35.64 2.5193 23.0 (1,1,3)
36.24 2.4785 12.2 (2,1,2)
36.83 2.4405 1.8 (0,2,0)
37.57 2.3939 4.7 (0,2,2)
Get direct link

Energy Properties

Formation Energy/atom
-1.03850
eV/atom
Energy/atom
-5.53238
eV/atom
Energy above Hull
0.2345
eV/atom
Uncorrected Energy
-4.8653
eV/atom
Volume/atom
17.54
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
2.6870
μB
Mag. Ordering
FiM
Mag. Sites
4
Magnetization/Volume
0.009570
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.375
Element Family
Metalloid-Nonmetal
Solute Fraction
0.625
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3209
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.9819
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
31.891%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6773
smaller = more stable mixing
VEC
5.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9528
SS Former
0
Phase Tendency
IM

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-550564
Reference Citation

The crystal structure and related material properties of Co2TeCl2O3 were obtained from the Materials Project database (MP-ID: mp-550564, 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_Co2TeCl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74321900
_cell_length_b   5.05981300
_cell_length_c   8.52884289
_cell_angle_alpha   74.72066882
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TeCl2O3
_chemical_formula_sum   'Co4 Te2 Cl4 O6'
_cell_volume   280.71315142
_cell_formula_units_Z   2
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
  Co  Co0  1  0.25000000  0.76680200  0.77509400  1.0
  Co  Co1  1  0.75000000  0.23319800  0.22490600  1.0
  Co  Co2  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.00000000  0.00000000  0.00000000  1.0
  Te  Te4  1  0.75000000  0.59318300  0.75409600  1.0
  Te  Te5  1  0.25000000  0.40681700  0.24590400  1.0
  Cl  Cl6  1  0.25000000  0.83924800  0.49701900  1.0
  Cl  Cl7  1  0.25000000  0.25438600  0.79984400  1.0
  Cl  Cl8  1  0.75000000  0.74561400  0.20015600  1.0
  Cl  Cl9  1  0.75000000  0.16075200  0.50298100  1.0
  O  O10  1  0.03781400  0.23879600  0.16137300  1.0
  O  O11  1  0.53781400  0.76120400  0.83862700  1.0
  O  O12  1  0.96218600  0.76120400  0.83862700  1.0
  O  O13  1  0.75000000  0.25098400  0.92763700  1.0
  O  O14  1  0.25000000  0.74901600  0.07236300  1.0
  O  O15  1  0.46218600  0.23879600  0.16137300  1.0
Get direct link