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  1. Third-Parties
  2. MatprojStructure
  3. mp-698206

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-698206
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Ba', 'Re', 'O']
  • Chemical System: Ba-O-Re
  • Density: 5.8899214512579
  • Atomic Density: 0.0567047797996271
  • Unit Cell Volume: 846.4894876518973
  • Molar Volume: 10.620164263541682
  • Full Formula: Ba10 Re6 O32
  • Reduced Formula: Ba5Re3O16
  • Formula Anonymous: A3B5C16
  • Spacegroup Number: 185
  • Spacegroup Symbol: P6_3cm
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -381.11545385
  • Final energy per atom: -7.9399052885416666
  • 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.