Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-752786

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-752786
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Ti', 'Co', 'Te', 'O']
  • Chemical System: Co-O-Te-Ti
  • Density: 4.730295558460448
  • Atomic Density: 0.08221302889461975
  • Unit Cell Volume: 291.9245321901846
  • Molar Volume: 7.325044267276845
  • Full Formula: Ti3 Co3 Te2 O16
  • Reduced Formula: Ti3Co3(TeO8)2
  • Formula Anonymous: A2B3C3D16
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -180.25096807
  • Final energy per atom: -7.510457002916667
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.