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  1. Third-Parties
  2. MatprojStructure
  3. mp-1237139

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-1237139
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Pr', 'V', 'O']
  • Chemical System: O-Pr-V
  • Density: 4.7550683839942955
  • Atomic Density: 0.05210478630408712
  • Unit Cell Volume: 383.8418966595242
  • Molar Volume: 11.557749656345143
  • Full Formula: Pr4 V8 O8
  • Reduced Formula: PrV2O2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -149.17037058
  • Final energy per atom: -7.458518529
  • 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.