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  1. Third-Parties
  2. MatprojStructure
  3. mp-17220

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-17220
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Rb', 'Ta', 'S']
  • Chemical System: Rb-S-Ta
  • Density: 3.464567237909982
  • Atomic Density: 0.02951017750054562
  • Unit Cell Volume: 1084.3716544710157
  • Molar Volume: 20.406996060557937
  • Full Formula: Rb12 Ta4 S16
  • Reduced Formula: Rb3TaS4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -174.31283342
  • Final energy per atom: -5.447276044375
  • 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.