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  1. Third-Parties
  2. MatprojStructure
  3. mp-643356

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-643356
  • 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: 24
  • Number of elements: 4
  • Element list: ['Sr', 'H', 'Br', 'O']
  • Chemical System: Br-H-O-Sr
  • Density: 3.7510316954558625
  • Atomic Density: 0.05106004011040631
  • Unit Cell Volume: 470.03488340598994
  • Molar Volume: 11.794234291587749
  • Full Formula: Sr4 H8 Br8 O4
  • Reduced Formula: SrH2Br2O
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -112.11915291999998
  • Final energy per atom: -4.671631371666666
  • 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.