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  1. Third-Parties
  2. MatprojStructure
  3. mp-735536

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-735536
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Ba', 'V', 'H', 'Se', 'O']
  • Chemical System: Ba-H-O-Se-V
  • Density: 4.063515844416865
  • Atomic Density: 0.07206057117493861
  • Unit Cell Volume: 638.3518649654832
  • Molar Volume: 8.357053880936201
  • Full Formula: Ba2 V4 H4 Se8 O28
  • Reduced Formula: BaV2H2(Se2O7)2
  • Formula Anonymous: AB2C2D4E14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -302.71775026
  • Final energy per atom: -6.580820657826087
  • 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.