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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228643

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-1228643
  • 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: 15
  • Number of elements: 4
  • Element list: ['Ba', 'In', 'Mo', 'O']
  • Chemical System: Ba-In-Mo-O
  • Density: 6.505648094305731
  • Atomic Density: 0.06666302104007397
  • Unit Cell Volume: 225.01230466262342
  • Molar Volume: 9.033705142735483
  • Full Formula: Ba3 In2 Mo1 O9
  • Reduced Formula: Ba3In2MoO9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -104.45689953
  • Final energy per atom: -6.963793302
  • 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.