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  1. Third-Parties
  2. MatprojStructure
  3. mp-676818

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-676818
  • 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: 108
  • Number of elements: 3
  • Element list: ['Sr', 'Ti', 'S']
  • Chemical System: S-Sr-Ti
  • Density: 3.46025136217206
  • Atomic Density: 0.04388528027514964
  • Unit Cell Volume: 2460.9618378387295
  • Molar Volume: 13.722461659678821
  • Full Formula: Sr24 Ti21 S63
  • Reduced Formula: Sr8(TiS3)7
  • Formula Anonymous: A7B8C21
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -680.5411639199999
  • Final energy per atom: -6.301307073333333
  • 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.