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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182388

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-1182388
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Ba', 'V', 'P', 'H', 'O']
  • Chemical System: Ba-H-O-P-V
  • Density: 2.70694355194644
  • Atomic Density: 0.08254550464680871
  • Unit Cell Volume: 654.1846249659786
  • Molar Volume: 7.295540545505433
  • Full Formula: Ba2 V4 P4 H16 O28
  • Reduced Formula: BaV2P2(H4O7)2
  • Formula Anonymous: AB2C2D8E14
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -362.30363272
  • Final energy per atom: -6.709326531851851
  • 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.