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  1. Third-Parties
  2. MatprojStructure
  3. mp-569114

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-569114
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ba', 'Ag', 'Sn', 'Se']
  • Chemical System: Ag-Ba-Se-Sn
  • Density: 5.555595827459082
  • Atomic Density: 0.033982743401967656
  • Unit Cell Volume: 235.41360111428753
  • Molar Volume: 17.721173034109153
  • Full Formula: Ba1 Ag2 Sn1 Se4
  • Reduced Formula: BaAg2SnSe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 23
  • Spacegroup Symbol: I222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -33.33475765
  • Final energy per atom: -4.16684470625
  • 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.