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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211164

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-1211164
  • 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: 100
  • Number of elements: 4
  • Element list: ['Th', 'N', 'O', 'F']
  • Chemical System: F-N-O-Th
  • Density: 2.4680257977987656
  • Atomic Density: 0.04305070426446328
  • Unit Cell Volume: 2322.842371769193
  • Molar Volume: 13.988483726086331
  • Full Formula: Th8 N28 O4 F60
  • Reduced Formula: Th2N7OF15
  • Formula Anonymous: AB2C7D15
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -545.54057573
  • Final energy per atom: -5.4554057573
  • 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.