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Ti7Co3N10

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-675585 · Space group: Imm2 (#44)

Basic Information

Formula
Ti7Co3N10
MP-ID
mp-675585
Elements
3
Sites
20
Density
5.7597
g/cm³
Volume
187.95
ų
Cell a
7.9509
Å
Cell b
7.9509
Å
Cell c
7.9509
Å
α Angle
143.54
°
β Angle
140.68
°
γ Angle
54.70
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 22)
2θd (Å)Ihkl
18.91 4.6920 1.8 (1,0,-1)
25.20 3.5345 1.1 (1,2,-2)
27.55 3.2377 3.4 (2,0,-1)
33.50 2.6751 36.8 (1,-1,1)
35.40 2.5355 1.1 (3,1,-2)
36.11 2.4872 44.9 (1,-1,-1)
36.58 2.4564 80.3 (3,2,-3)
40.50 2.2272 1.9 (2,-1,-1)
50.08 1.8215 46.3 (2,-2,0)
50.44 1.8093 100.0 (1,4,-3)
64.48 1.4451 1.1 (4,0,-3)
65.25 1.4300 21.4 (4,1,-4)
66.16 1.4124 11.3 (5,5,-5)
70.39 1.3375 9.3 (2,-2,2)
75.37 1.2611 11.6 (5,0,-3)
76.23 1.2490 6.3 (4,6,-6)
76.62 1.2436 3.0 (2,-2,-2)
77.76 1.2282 7.8 (6,4,-6)
81.75 1.1780 6.9 (3,-3,1)
82.03 1.1747 13.2 (0,5,-4)
86.25 1.1277 7.7 (3,-3,-1)
87.37 1.1162 15.3 (7,3,-5)
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Energy Properties

Formation Energy/atom
-1.15516
eV/atom
Energy/atom
-12.23288
eV/atom
Energy above Hull
0.2047
eV/atom
Uncorrected Energy
-8.9628
eV/atom
Volume/atom
9.40
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
2.8645
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.015240
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
N · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500

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
0.0682
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
31.075%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.7076
smaller = more stable mixing
VEC
5.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-118.751
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9089
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.386
Family
Interstitial Alloy
Matrix Element
N · 0.500

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-675585
Reference Citation

The crystal structure and related material properties of Ti7Co3N10 were obtained from the Materials Project database (MP-ID: mp-675585, 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_Ti7Co3N10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95088896
_cell_length_b   7.95088896
_cell_length_c   7.95088896
_cell_angle_alpha   143.54095172
_cell_angle_beta   140.67847615
_cell_angle_gamma   54.69814704
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti7Co3N10
_chemical_formula_sum   'Ti7 Co3 N10'
_cell_volume   187.95387828
_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
  Ti  Ti0  1  0.90180200  0.40828600  0.50648400  1.0
  Ti  Ti1  1  0.80126000  0.80393400  0.00267500  1.0
  Ti  Ti2  1  0.60162000  0.59330100  0.99168100  1.0
  Ti  Ti3  1  0.50000000  0.99681000  0.49681000  1.0
  Ti  Ti4  1  0.39838000  0.39006100  0.99168100  1.0
  Ti  Ti5  1  0.19874000  0.20141500  0.00267500  1.0
  Ti  Ti6  1  0.09819800  0.60468100  0.50648400  1.0
  Co  Co7  1  0.00000000  0.05944900  0.05944900  1.0
  Co  Co8  1  0.70461900  0.20937800  0.50475900  1.0
  Co  Co9  1  0.29538100  0.80014000  0.50475900  1.0
  N  N10  1  0.95209700  0.86587400  0.41863000  1.0
  N  N11  1  0.85349800  0.26782400  0.92407600  1.0
  N  N12  1  0.73759800  0.64770000  0.38529800  1.0
  N  N13  1  0.65625300  0.07057800  0.92407600  1.0
  N  N14  1  0.55275600  0.46653300  0.41863000  1.0
  N  N15  1  0.44724400  0.86587400  0.91377700  1.0
  N  N16  1  0.34374700  0.26782400  0.41432500  1.0
  N  N17  1  0.26240200  0.64770000  0.91010300  1.0
  N  N18  1  0.14650200  0.07057800  0.41432500  1.0
  N  N19  1  0.04790300  0.46653300  0.91377700  1.0
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