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  1. Third-Parties
  2. MatprojStructure
  3. mp-555137

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-555137
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['K', 'Sb', 'N', 'O', 'F']
  • Chemical System: F-K-N-O-Sb
  • Density: 2.589175730453413
  • Atomic Density: 0.06145547808610226
  • Unit Cell Volume: 618.3338114587615
  • Molar Volume: 9.799192761242006
  • Full Formula: K6 Sb2 N6 O18 F6
  • Reduced Formula: K3SbN3(O3F)3
  • Formula Anonymous: AB3C3D3E9
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -229.81993972
  • Final energy per atom: -6.047893150526316
  • 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.