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  1. Third-Parties
  2. MatprojStructure
  3. mp-1405864

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-1405864
  • 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: 14
  • Number of elements: 5
  • Element list: ['V', 'Fe', 'P', 'O', 'F']
  • Chemical System: F-Fe-O-P-V
  • Density: 3.154269211429887
  • Atomic Density: 0.07944895841545871
  • Unit Cell Volume: 176.21376389594005
  • Molar Volume: 7.57988635736255
  • Full Formula: V1 Fe1 P2 O8 F2
  • Reduced Formula: VFeP2(O4F)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -73.27443866
  • Final energy per atom: -5.233888475714286
  • 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.