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  1. Third-Parties
  2. MatprojStructure
  3. mp-729904

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-729904
  • 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: 136
  • Number of elements: 3
  • Element list: ['V', 'Se', 'O']
  • Chemical System: O-Se-V
  • Density: 2.3238941037176266
  • Atomic Density: 0.050858131068656595
  • Unit Cell Volume: 2674.105342494891
  • Molar Volume: 11.841057926156061
  • Full Formula: V16 Se16 O104
  • Reduced Formula: V2Se2O13
  • Formula Anonymous: A2B2C13
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -815.55976849
  • Final energy per atom: -5.996763003602942
  • 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.