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  1. Third-Parties
  2. MatprojStructure
  3. mp-560219

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-560219
  • 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: 100
  • Number of elements: 5
  • Element list: ['K', 'Sb', 'N', 'O', 'F']
  • Chemical System: F-K-N-O-Sb
  • Density: 2.9446773030238123
  • Atomic Density: 0.06166660429915605
  • Unit Cell Volume: 1621.6232616746918
  • Molar Volume: 9.765643541495308
  • Full Formula: K16 Sb8 N12 O36 F28
  • Reduced Formula: K4Sb2N3O9F7
  • Formula Anonymous: A2B3C4D7E9
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -580.03350304
  • Final energy per atom: -5.8003350304
  • 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.