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  1. Third-Parties
  2. MatprojStructure
  3. mp-850540

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-850540
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Zn', 'Fe', 'P', 'O']
  • Chemical System: Fe-O-P-Zn
  • Density: 3.5254761581728404
  • Atomic Density: 0.08271550260846956
  • Unit Cell Volume: 870.4535151144404
  • Molar Volume: 7.28054665702215
  • Full Formula: Zn4 Fe8 P12 O48
  • Reduced Formula: ZnFe2(PO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -536.11746409
  • Final energy per atom: -7.446075890138889
  • 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.