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  1. Third-Parties
  2. MatprojStructure
  3. mp-777408

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-777408
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['V', 'Fe', 'P', 'O', 'F']
  • Chemical System: F-Fe-O-P-V
  • Density: 3.153096069300832
  • Atomic Density: 0.07941940959955898
  • Unit Cell Volume: 352.5586521126126
  • Molar Volume: 7.582706532778659
  • Full Formula: V2 Fe2 P4 O16 F4
  • Reduced Formula: VFeP2(O4F)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -213.29165733
  • Final energy per atom: -7.6175591903571425
  • 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.