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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197479

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-1197479
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 5
  • Element list: ['Fe', 'Sb', 'P', 'Br', 'O']
  • Chemical System: Br-Fe-O-P-Sb
  • Density: 4.35345042072483
  • Atomic Density: 0.06474213982838473
  • Unit Cell Volume: 2100.641102696051
  • Molar Volume: 9.301732651968555
  • Full Formula: Fe28 Sb12 P12 Br12 O72
  • Reduced Formula: Fe7Sb3P3(BrO6)3
  • Formula Anonymous: A3B3C3D7E18
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -994.53050144
  • Final energy per atom: -7.3127242752941175
  • 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.