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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202077

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-1202077
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Fe', 'Mo', 'H', 'N', 'O']
  • Chemical System: Fe-H-Mo-N-O
  • Density: 3.3334106586776637
  • Atomic Density: 0.08156983551042538
  • Unit Cell Volume: 784.6037643636073
  • Molar Volume: 7.382803609099243
  • Full Formula: Fe4 Mo8 H16 N4 O32
  • Reduced Formula: FeMo2H4NO8
  • Formula Anonymous: ABC2D4E8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -462.66043083
  • Final energy per atom: -7.22906923171875
  • 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.