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  1. Third-Parties
  2. MatprojStructure
  3. mp-10776

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-10776
  • 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: 11
  • Number of elements: 4
  • Element list: ['K', 'Sn', 'As', 'S']
  • Chemical System: As-K-S-Sn
  • Density: 3.0349256573734436
  • Atomic Density: 0.037289816968196214
  • Unit Cell Volume: 294.98669863093437
  • Molar Volume: 16.14955837711987
  • Full Formula: K2 Sn1 As2 S6
  • Reduced Formula: K2Sn(AsS3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -49.97158066
  • Final energy per atom: -4.5428709690909095
  • 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.