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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191072

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-1191072
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'Se']
  • Chemical System: Ba-Ga-Se
  • Density: 4.855186594303325
  • Atomic Density: 0.03621109328500212
  • Unit Cell Volume: 662.7803201385334
  • Molar Volume: 16.63065158680046
  • Full Formula: Ba2 Ga8 Se14
  • Reduced Formula: BaGa4Se7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -104.5090869
  • Final energy per atom: -4.3545452875
  • 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.