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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202049

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-1202049
  • 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: 60
  • Number of elements: 5
  • Element list: ['Mo', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-Mo-N-O
  • Density: 2.2469210501486403
  • Atomic Density: 0.07777208869986772
  • Unit Cell Volume: 771.4850019207732
  • Molar Volume: 7.7433187929929455
  • Full Formula: Mo6 H24 C8 N2 O20
  • Reduced Formula: Mo3H12C4NO10
  • Formula Anonymous: AB3C4D10E12
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -389.87805008
  • Final energy per atom: -6.497967501333333
  • 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.