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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194355

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-1194355
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Fe', 'Sb', 'Br', 'O']
  • Chemical System: Br-Fe-O-Sb
  • Density: 4.221844412176653
  • Atomic Density: 0.04159205953708687
  • Unit Cell Volume: 625.1193205957085
  • Molar Volume: 14.479063617011244
  • Full Formula: Fe6 Sb4 Br8 O8
  • Reduced Formula: Fe3Sb2(BrO)4
  • Formula Anonymous: A2B3C4D4
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -157.03871572
  • Final energy per atom: -6.039950604615385
  • 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.