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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019527

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-1019527
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'B', 'O']
  • Chemical System: B-Ba-O-Y
  • Density: 3.9513946300118006
  • Atomic Density: 0.06915468941419481
  • Unit Cell Volume: 1503.8748764686488
  • Molar Volume: 8.7082174918479
  • Full Formula: Ba12 Y8 B24 O60
  • Reduced Formula: Ba3Y2(B2O5)3
  • Formula Anonymous: A2B3C6D15
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -874.4541398499999
  • Final energy per atom: -8.408212883173077
  • 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.