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  1. Third-Parties
  2. MatprojStructure
  3. mp-556507

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-556507
  • 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: 28
  • Number of elements: 4
  • Element list: ['Sr', 'Fe', 'Br', 'O']
  • Chemical System: Br-Fe-O-Sr
  • Density: 4.837273342753482
  • Atomic Density: 0.056802912979367806
  • Unit Cell Volume: 492.9324665122417
  • Molar Volume: 10.601816780395378
  • Full Formula: Sr8 Fe4 Br4 O12
  • Reduced Formula: Sr2FeBrO3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -185.17589049
  • Final energy per atom: -6.6134246603571425
  • 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.