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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199421

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-1199421
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['K', 'U', 'O', 'F']
  • Chemical System: F-K-O-U
  • Density: 4.5538884433567075
  • Atomic Density: 0.05711997300624918
  • Unit Cell Volume: 805.3225094305874
  • Molar Volume: 10.542968497798748
  • Full Formula: K4 U6 O20 F16
  • Reduced Formula: K2U3(O5F4)2
  • Formula Anonymous: A2B3C8D10
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -321.00605587
  • Final energy per atom: -6.978392518913044
  • 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.