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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196709

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-1196709
  • 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: 54
  • Number of elements: 5
  • Element list: ['Mn', 'Nb', 'C', 'N', 'O']
  • Chemical System: C-Mn-N-Nb-O
  • Density: 2.030580315378461
  • Atomic Density: 0.06126508772565325
  • Unit Cell Volume: 881.4155337835064
  • Molar Volume: 9.829645208323724
  • Full Formula: Mn4 Nb2 C16 N16 O16
  • Reduced Formula: Mn2NbC8(NO)8
  • Formula Anonymous: AB2C8D8E8
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -394.74855685
  • Final energy per atom: -7.3101584601851854
  • 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.