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  1. Third-Parties
  2. MatprojStructure
  3. mp-505254

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-505254
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Mn', 'V', 'H', 'O', 'F']
  • Chemical System: F-H-Mn-O-V
  • Density: 2.7386979196537133
  • Atomic Density: 0.09050434668782649
  • Unit Cell Volume: 287.27901975449754
  • Molar Volume: 6.653979593678479
  • Full Formula: Mn2 V2 H8 O4 F10
  • Reduced Formula: MnVH4O2F5
  • Formula Anonymous: ABC2D4E5
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -161.44211143
  • Final energy per atom: -6.209311978076924
  • 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.