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  1. Third-Parties
  2. MatprojStructure
  3. mp-38972

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-38972
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ba', 'Re', 'O']
  • Chemical System: Ba-O-Re
  • Density: 7.583571289621311
  • Atomic Density: 0.06886878881401434
  • Unit Cell Volume: 203.28512002451671
  • Molar Volume: 8.744368622865244
  • Full Formula: Ba3 Re2 O9
  • Reduced Formula: Ba3Re2O9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -112.79702646000004
  • Final energy per atom: -8.056930461428575
  • 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.