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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195912

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-1195912
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['V', 'Pb', 'O', 'F']
  • Chemical System: F-O-Pb-V
  • Density: 5.141392779198794
  • Atomic Density: 0.06710253068730962
  • Unit Cell Volume: 476.88216334368167
  • Molar Volume: 8.974535979965511
  • Full Formula: V4 Pb4 O4 F20
  • Reduced Formula: VPbOF5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -196.91084391
  • Final energy per atom: -6.1534638721875
  • 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.