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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192499

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-1192499
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Ba', 'V', 'Fe', 'H', 'O']
  • Chemical System: Ba-Fe-H-O-V
  • Density: 4.443534953936293
  • Atomic Density: 0.06951933534754504
  • Unit Cell Volume: 431.5346205486903
  • Molar Volume: 8.662540759191339
  • Full Formula: Ba4 V4 Fe2 H2 O18
  • Reduced Formula: Ba2V2FeHO9
  • Formula Anonymous: ABC2D2E9
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -233.76785902
  • Final energy per atom: -7.792261967333333
  • 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.