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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217554

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-1217554
  • 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: 72
  • Number of elements: 4
  • Element list: ['V', 'Fe', 'Pb', 'O']
  • Chemical System: Fe-O-Pb-V
  • Density: 5.580942174906218
  • Atomic Density: 0.08674297995923891
  • Unit Cell Volume: 830.0383504674761
  • Molar Volume: 6.9425108093241015
  • Full Formula: V17 Fe7 Pb4 O44
  • Reduced Formula: V17Fe7(PbO11)4
  • Formula Anonymous: A4B7C17D44
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -603.3288033700001
  • Final energy per atom: -8.379566713472222
  • 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.