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  1. Third-Parties
  2. MatprojStructure
  3. mp-695984

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-695984
  • 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: 56
  • Number of elements: 4
  • Element list: ['Ba', 'Re', 'H', 'O']
  • Chemical System: Ba-H-O-Re
  • Density: 4.902716090693756
  • Atomic Density: 0.06303422293541609
  • Unit Cell Volume: 888.4062877617569
  • Molar Volume: 9.553763780304223
  • Full Formula: Ba4 Re8 H8 O36
  • Reduced Formula: BaRe2H2O9
  • Formula Anonymous: AB2C2D9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -438.84117505
  • Final energy per atom: -7.836449554464286
  • 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.