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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195220

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-1195220
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Ba', 'Ag', 'Sb', 'S', 'O']
  • Chemical System: Ag-Ba-O-S-Sb
  • Density: 4.168004925173178
  • Atomic Density: 0.03666958847405528
  • Unit Cell Volume: 1527.1510352405921
  • Molar Volume: 16.42271159999744
  • Full Formula: Ba8 Ag8 Sb8 S24 O8
  • Reduced Formula: BaAgSbS3O
  • Formula Anonymous: ABCDE3
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -264.18749883
  • Final energy per atom: -4.717633907678571
  • 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.