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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209218

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-1209218
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Sr', 'C', 'Br', 'O']
  • Chemical System: Br-C-O-Sr
  • Density: 2.187717063865381
  • Atomic Density: 0.050050701272364405
  • Unit Cell Volume: 679.3111611959205
  • Molar Volume: 12.032080684002596
  • Full Formula: Sr2 C12 Br4 O16
  • Reduced Formula: SrC6(BrO4)2
  • Formula Anonymous: AB2C6D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -217.49833251
  • Final energy per atom: -6.397009779705883
  • 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.