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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217251

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-1217251
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Ti', 'Sb', 'Se']
  • Chemical System: Sb-Se-Ti
  • Density: 6.446298199078386
  • Atomic Density: 0.054245586787001324
  • Unit Cell Volume: 589.909740043001
  • Molar Volume: 11.101623406981126
  • Full Formula: Ti20 Sb9 Se3
  • Reduced Formula: Ti20(Sb3Se)3
  • Formula Anonymous: A3B9C20
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -225.94336595
  • Final energy per atom: -7.0607301859375
  • 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.