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  1. Third-Parties
  2. MatprojStructure
  3. mp-1043115

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-1043115
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 4
  • Element list: ['Zn', 'Fe', 'Bi', 'O']
  • Chemical System: Bi-Fe-O-Zn
  • Density: 6.433953835178043
  • Atomic Density: 0.06967805193892676
  • Unit Cell Volume: 531.0136975762573
  • Molar Volume: 8.642808735925115
  • Full Formula: Zn3 Fe4 Bi6 O24
  • Reduced Formula: Zn3Fe4(BiO4)6
  • Formula Anonymous: A3B4C6D24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -230.86004671
  • Final energy per atom: -6.239460721891892
  • 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.