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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196236

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-1196236
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['K', 'Sb', 'Se', 'O', 'F']
  • Chemical System: F-K-O-Sb-Se
  • Density: 3.4885805046686444
  • Atomic Density: 0.056525963382764104
  • Unit Cell Volume: 1132.2230736100091
  • Molar Volume: 10.65376050156143
  • Full Formula: K8 Sb8 Se4 O20 F24
  • Reduced Formula: K2Sb2SeO5F6
  • Formula Anonymous: AB2C2D5E6
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -331.14302503
  • Final energy per atom: -5.17410976609375
  • 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.