Ti10C8O

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3291456 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Ti10C8O

MP-ID

mp-3291456

Elements

Sites

Density

4.8441

g/cm³

Volume

405.02

Å³

Cell a

8.0988

Cell b

8.0917

Cell c

10.1434

α Angle

62.91

β Angle

62.90

γ Angle

44.42

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

Yes

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
13.57	6.5247	2.6	(1,1,0)
15.99	5.5428	1.3	(1,0,0)
16.00	5.5386	1.1	(0,1,0)
17.88	4.9613	2.2	(1,1,2)
20.11	4.4153	1.3	(0,0,2)
20.62	4.3065	1.1	(1,0,-1)
24.69	3.6052	1.2	(2,2,2)
35.94	2.4991	67.2	(2,0,-1)
35.95	2.4982	66.9	(3,3,2)
35.95	2.4978	67.5	(0,2,-1)
35.96	2.4972	66.9	(1,1,4)
41.73	2.1644	100.0	(3,1,3)
41.74	2.1639	99.1	(2,2,-2)
41.78	2.1619	99.5	(1,3,3)
60.48	1.5308	27.8	(5,3,1)
60.52	1.5299	28.3	(2,-2,0)
60.52	1.5298	28.0	(1,-1,5)
60.54	1.5295	27.7	(1,-1,-5)
60.54	1.5293	27.8	(3,5,1)
60.54	1.5293	27.8	(4,4,6)
72.39	1.3054	7.6	(5,1,2)
72.41	1.3051	7.3	(4,2,-3)
72.41	1.3051	7.4	(6,4,5)
72.42	1.3049	7.3	(5,5,0)

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Energy Properties

Formation Energy/atom

-1.19526

eV/atom

Energy/atom

-12.50726

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.5073

eV/atom

Volume/atom

10.66

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0022

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ti · 0.526

Element Family

3d-TM

Solute Fraction

0.474

Interstitial Fraction

0.421

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8570

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1251

J/mol·K

Ω Parameter

0.1580

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.946%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5862

smaller = more stable mixing

VEC

4.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-118.781

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7801

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.735

Family

Ti-based Alloy

Matrix Element

Ti · 0.526

Related Tasks

Related computation task IDs (1)

aaahfham

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3291456

Reference Citation

The crystal structure and related material properties of Ti10C8O were obtained from the Materials Project database (MP-ID: mp-3291456, 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

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Raw CIF Data

# generated using pymatgen
data_Ti10C8O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09875912
_cell_length_b   8.09166206
_cell_length_c   10.14336983
_cell_angle_alpha   62.90805594
_cell_angle_beta   62.89517603
_cell_angle_gamma   44.41753959
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti10C8O
_chemical_formula_sum   'Ti20 C16 O2'
_cell_volume   405.01722848
_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
  Ti  Ti0  1  0.23787864  0.47851696  0.94284196  1.0
  Ti  Ti1  1  0.71971223  0.96768699  0.95944488  1.0
  Ti  Ti2  1  0.56268796  0.33195285  0.64781471  1.0
  Ti  Ti3  1  0.43731204  0.66804715  0.35218529  1.0
  Ti  Ti4  1  0.28028777  0.03231301  0.04055512  1.0
  Ti  Ti5  1  0.08538207  0.81538004  0.63985137  1.0
  Ti  Ti6  1  0.12640094  0.36721152  0.74793616  1.0
  Ti  Ti7  1  0.91461793  0.18461996  0.36014863  1.0
  Ti  Ti8  1  0.96672580  0.72066325  0.45746579  1.0
  Ti  Ti9  1  0.76212136  0.52148304  0.05715804  1.0
  Ti  Ti10  1  0.62142885  0.88191841  0.74580806  1.0
  Ti  Ti11  1  0.81358478  0.08236341  0.14377953  1.0
  Ti  Ti12  1  0.47776344  0.22466087  0.44628979  1.0
  Ti  Ti13  1  0.67112259  0.43718263  0.85103712  1.0
  Ti  Ti14  1  0.52223656  0.77533913  0.55371021  1.0
  Ti  Ti15  1  0.32887741  0.56281737  0.14896288  1.0
  Ti  Ti16  1  0.37857115  0.11808159  0.25419194  1.0
  Ti  Ti17  1  0.18641522  0.91763659  0.85622047  1.0
  Ti  Ti18  1  0.03327420  0.27933675  0.54253421  1.0
  Ti  Ti19  1  0.87359906  0.63278848  0.25206384  1.0
  C  C20  1  0.57571332  0.82579398  0.14805378  1.0
  C  C21  1  0.77798797  0.02406909  0.55129626  1.0
  C  C22  1  0.42428668  0.17420602  0.85194622  1.0
  C  C23  1  0.62797266  0.37456221  0.24886581  1.0
  C  C24  1  0.27334378  0.52867830  0.55038904  1.0
  C  C25  1  0.47486070  0.72566453  0.95143829  1.0
  C  C26  1  0.32262291  0.07534810  0.65150667  1.0
  C  C27  1  0.17438337  0.42458310  0.35019265  1.0
  C  C28  1  0.97477999  0.22569407  0.95122682  1.0
  C  C29  1  0.82561663  0.57541690  0.64980735  1.0
  C  C30  1  0.02522001  0.77430593  0.04877318  1.0
  C  C31  1  0.67737709  0.92465190  0.34849333  1.0
  C  C32  1  0.72665622  0.47132170  0.44961096  1.0
  C  C33  1  0.52513930  0.27433547  0.04856171  1.0
  C  C34  1  0.37202734  0.62543779  0.75113419  1.0
  C  C35  1  0.22201203  0.97593091  0.44870374  1.0
  O  O36  1  0.07431975  0.32234602  0.14829293  1.0
  O  O37  1  0.92568025  0.67765398  0.85170707  1.0

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