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  1. Third-Parties
  2. MatprojStructure
  3. mp-29762

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-29762
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Gd', 'B', 'O']
  • Chemical System: B-Gd-O
  • Density: 6.199244282892027
  • Atomic Density: 0.08639465870951675
  • Unit Cell Volume: 173.62184449890864
  • Molar Volume: 6.970501243888397
  • Full Formula: Gd3 B3 O9
  • Reduced Formula: GdBO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -155.9923308
  • Final energy per atom: -10.399488719999999
  • 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.