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  1. Third-Parties
  2. MatprojStructure
  3. mp-568403

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-568403
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Cs', 'Sn', 'As', 'Se']
  • Chemical System: As-Cs-Se-Sn
  • Density: 4.226051713368852
  • Atomic Density: 0.028618242695978707
  • Unit Cell Volume: 978.3969021946417
  • Molar Volume: 21.04301380058602
  • Full Formula: Cs4 Sn2 As4 Se18
  • Reduced Formula: Cs2SnAs2Se9
  • Formula Anonymous: AB2C2D9
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -114.09709702
  • Final energy per atom: -4.074896322142857
  • 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.