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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221895

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-1221895
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Mn', 'Nb', 'H', 'O', 'F']
  • Chemical System: F-H-Mn-Nb-O
  • Density: 2.4495543392619696
  • Atomic Density: 0.08916105479374409
  • Unit Cell Volume: 448.6263659905307
  • Molar Volume: 6.754227811605632
  • Full Formula: Mn2 Nb2 H16 O10 F10
  • Reduced Formula: MnNbH8(OF)5
  • Formula Anonymous: ABC5D5E8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -243.0763953
  • Final energy per atom: -6.0769098825
  • 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.