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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214529

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-1214529
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Ba', 'Gd', 'Cu', 'B', 'O']
  • Chemical System: B-Ba-Cu-Gd-O
  • Density: 6.505211411169715
  • Atomic Density: 0.0785371670137379
  • Unit Cell Volume: 229.19084917910774
  • Molar Volume: 7.667886414780651
  • Full Formula: Ba2 Gd2 Cu2 B2 O10
  • Reduced Formula: BaGdCuBO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 100
  • Spacegroup Symbol: P4bm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -154.29335949
  • Final energy per atom: -8.571853305
  • 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.