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  1. Third-Parties
  2. MatprojStructure
  3. mp-777048

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-777048
  • 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: 28
  • Number of elements: 5
  • Element list: ['Mn', 'V', 'P', 'O', 'F']
  • Chemical System: F-Mn-O-P-V
  • Density: 3.1316935998239472
  • Atomic Density: 0.07909463988224714
  • Unit Cell Volume: 354.00628970161887
  • Molar Volume: 7.613841808958883
  • Full Formula: Mn2 V2 P4 O16 F4
  • Reduced Formula: MnVP2(O4F)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -216.4059034
  • Final energy per atom: -7.728782264285714
  • 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.