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  1. Third-Parties
  2. MatprojStructure
  3. mp-581955

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-581955
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 4
  • Element list: ['Cs', 'Si', 'Sb', 'O']
  • Chemical System: Cs-O-Sb-Si
  • Density: 3.9431985255904154
  • Atomic Density: 0.06177661735582913
  • Unit Cell Volume: 2136.730783423912
  • Molar Volume: 9.748252684851417
  • Full Formula: Cs12 Si24 Sb12 O84
  • Reduced Formula: CsSi2SbO7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -966.70384754
  • Final energy per atom: -7.3235139965151514
  • 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.