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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224063

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-1224063
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'Sn', 'As']
  • Chemical System: As-Ba-K-Sn
  • Density: 3.5493536789218343
  • Atomic Density: 0.02767950481440504
  • Unit Cell Volume: 794.8119067704818
  • Molar Volume: 21.75667809225381
  • Full Formula: K8 Ba4 Sn2 As8
  • Reduced Formula: K4Ba2SnAs4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -76.7407024
  • Final energy per atom: -3.4882137454545457
  • 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.