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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194795

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-1194795
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Ba', 'Ge', 'B', 'Br', 'O']
  • Chemical System: B-Ba-Br-Ge-O
  • Density: 5.077385882950114
  • Atomic Density: 0.05644553691926903
  • Unit Cell Volume: 1771.6192538486175
  • Molar Volume: 10.668940519802549
  • Full Formula: Ba28 Ge4 B12 Br4 O52
  • Reduced Formula: Ba7GeB3BrO13
  • Formula Anonymous: ABC3D7E13
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -720.66109199
  • Final energy per atom: -7.2066109199
  • 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.