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  1. Third-Parties
  2. MatprojStructure
  3. mp-623064

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-623064
  • 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: 52
  • Number of elements: 4
  • Element list: ['Re', 'N', 'O', 'F']
  • Chemical System: F-N-O-Re
  • Density: 3.9992147629108925
  • Atomic Density: 0.07862501079654845
  • Unit Cell Volume: 661.3671587855953
  • Molar Volume: 7.659319469707934
  • Full Formula: Re4 N8 O8 F32
  • Reduced Formula: ReN2(OF4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -305.89433240999995
  • Final energy per atom: -5.882583315576922
  • 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.