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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228417

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-1228417
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 4
  • Element list: ['Ba', 'Al', 'Rh', 'O']
  • Chemical System: Al-Ba-O-Rh
  • Density: 5.952004623581226
  • Atomic Density: 0.06327288448975808
  • Unit Cell Volume: 426.7230776300465
  • Molar Volume: 9.517727551957583
  • Full Formula: Ba6 Al2 Rh4 O15
  • Reduced Formula: Ba6Al2Rh4O15
  • Formula Anonymous: A2B4C6D15
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -186.54448372
  • Final energy per atom: -6.909054952592592
  • 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.