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  1. Third-Parties
  2. MatprojStructure
  3. mp-558345

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-558345
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Zn', 'Fe', 'Se', 'O']
  • Chemical System: Fe-O-Se-Zn
  • Density: 4.07033978890752
  • Atomic Density: 0.06799670040253826
  • Unit Cell Volume: 558.850646796701
  • Molar Volume: 8.856519102175726
  • Full Formula: Zn2 Fe4 Se8 O24
  • Reduced Formula: ZnFe2(SeO3)4
  • Formula Anonymous: AB2C4D12
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -237.65189995000003
  • Final energy per atom: -6.2539973671052635
  • 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.