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  1. Third-Parties
  2. MatprojStructure
  3. mp-677238

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-677238
  • 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: 32
  • Number of elements: 3
  • Element list: ['Th', 'N', 'F']
  • Chemical System: F-N-Th
  • Density: 9.20207595649451
  • Atomic Density: 0.06583890375804825
  • Unit Cell Volume: 486.0348239939865
  • Molar Volume: 9.146781638605038
  • Full Formula: Th10 N9 F13
  • Reduced Formula: Th10N9F13
  • Formula Anonymous: A9B10C13
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -277.95797987
  • Final energy per atom: -8.6861868709375
  • 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.